============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 33.603 4.248 32.230 -99.200 -91.000 PHE 10 1.000 39.189 -3.128 24.393 -99.200 -91.000 PHE 17 1.000 22.607 9.011 31.825 -99.200 -91.000 TYR 29 0.840 35.276 8.451 29.451 -99.200 -91.000 PHE 35 1.000 30.123 7.784 20.799 -99.200 -91.000 PHE 37 1.000 20.156 6.713 15.084 -99.200 -91.000 TYR 64 0.840 9.025 -9.269 3.635 -99.200 -91.000 TYR 72 0.840 22.623 -9.011 10.127 -99.200 -91.000 HIS 79 0.900 9.859 -16.146 7.734 -99.200 -91.000 TYR 96 0.840 17.108 -14.012 15.288 -99.200 -91.000 PHE 132 1.000 12.850 4.276 5.407 -99.200 -91.000 PHE 160 1.000 9.607 5.102 23.047 -99.200 -91.000 TRP 177 1.040 9.247 -8.982 20.619 -99.200 -91.000 TRP6 177 1.020 7.673 -7.261 20.204 -99.200 -91.000 TRP 196 1.040 23.752 -7.841 38.196 -99.200 -91.000 TRP6 196 1.020 23.823 -5.481 38.131 -99.200 -91.000 TYR 207 0.840 34.441 7.166 10.188 -99.200 -91.000 TRP 217 1.040 14.884 -5.117 35.466 -99.200 -91.000 TRP6 217 1.020 14.706 -5.173 33.109 -99.200 -91.000 TYR 239 0.840 31.793 -4.657 15.747 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2x71A1 ASP 31 HA -0.03 0.05 0.19 -0.75 4.63 4.09 2x71A1 ASP 31 HB2 -0.00 0.06 0.13 -0.04 2.71 2.86 2x71A1 ASP 31 HB3 0.07 0.07 0.10 -0.04 2.70 2.90 2x71A1 ASP 32 H -0.18 0.18 0.12 -0.55 8.40 7.98 2x71A1 ASP 32 HA -0.12 0.11 0.43 -0.75 4.63 4.29 2x71A1 ASP 32 HB2 -0.50 -0.00 0.09 -0.04 2.71 2.26 2x71A1 ASP 32 HB3 -0.27 0.05 0.03 -0.04 2.70 2.47 2x71A1 PHE 33 H -0.39 0.11 -0.09 -0.55 8.34 7.41 2x71A1 PHE 33 HA -0.25 0.13 0.54 -0.75 4.62 4.29 2x71A1 PHE 33 HB2 -1.21 -0.01 0.06 -0.04 3.15 1.95 2x71A1 PHE 33 HB3 -1.25 0.04 -0.02 -0.04 3.06 1.78 2x71A1 PHE 33 HD2 -0.19 0.01 -0.00 -0.04 7.28 7.06 2x71A1 PHE 33 HE2 -0.06 0.09 -0.05 -0.04 7.38 7.33 2x71A1 PHE 33 HZ -0.06 0.03 -0.18 -0.04 7.32 7.07 2x71A1 ALA 34 H -0.06 0.14 -0.21 -0.55 8.40 7.72 2x71A1 ALA 34 HA 0.15 0.03 0.48 -0.75 4.34 4.25 2x71A1 ALA 34 HB3 0.12 0.08 0.09 -0.04 1.41 1.65 2x71A1 LYS 35 H -0.01 0.44 -0.20 -0.55 8.42 8.09 2x71A1 LYS 35 HA 0.03 0.03 0.47 -0.75 4.32 4.10 2x71A1 LYS 35 HB2 -0.02 0.10 0.14 -0.04 1.87 2.04 2x71A1 LYS 35 HB3 -0.00 -0.03 -0.00 -0.04 1.79 1.72 2x71A1 LYS 35 HG2 0.00 -0.04 0.02 -0.04 1.46 1.41 2x71A1 LYS 35 HG3 -0.01 0.18 0.04 -0.04 1.46 1.63 2x71A1 LYS 35 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 2x71A1 LYS 35 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 2x71A1 LYS 35 HE2 -0.03 0.07 -0.15 -0.04 2.99 2.84 2x71A1 LYS 35 HE3 -0.05 -0.06 -0.14 -0.04 2.99 2.71 2x71A1 LEU 36 H 0.03 0.42 -0.19 -0.55 8.37 8.09 2x71A1 LEU 36 HA 0.23 0.02 0.52 -0.75 4.35 4.37 2x71A1 LEU 36 HB2 0.09 0.10 0.20 -0.04 1.64 1.99 2x71A1 LEU 36 HB3 0.14 -0.03 -0.02 -0.04 1.64 1.69 2x71A1 LEU 36 HG 0.03 0.14 0.03 -0.04 1.64 1.80 2x71A1 LEU 36 HD13 0.04 0.01 -0.19 -0.04 0.93 0.75 2x71A1 LEU 36 HD23 0.22 -0.01 -0.03 -0.04 0.89 1.03 2x71A1 GLU 37 H 0.10 0.53 -0.12 -0.55 8.60 8.57 2x71A1 GLU 37 HA 0.16 0.06 0.48 -0.75 4.29 4.24 2x71A1 GLU 37 HB2 0.14 0.14 0.24 -0.04 2.09 2.57 2x71A1 GLU 37 HB3 0.14 -0.00 0.10 -0.04 1.99 2.19 2x71A1 GLU 37 HG2 0.18 0.01 0.11 -0.04 2.34 2.61 2x71A1 GLU 37 HG3 0.16 0.14 0.07 -0.04 2.34 2.67 2x71A1 GLU 38 H 0.08 0.43 -0.19 -0.55 8.60 8.38 2x71A1 GLU 38 HA 0.06 0.02 0.52 -0.75 4.29 4.14 2x71A1 GLU 38 HB2 0.03 0.10 0.18 -0.04 2.09 2.36 2x71A1 GLU 38 HB3 0.02 -0.04 0.01 -0.04 1.99 1.94 2x71A1 GLU 38 HG2 0.04 -0.05 0.03 -0.04 2.34 2.32 2x71A1 GLU 38 HG3 0.06 0.14 0.07 -0.04 2.34 2.57 2x71A1 GLN 39 H 0.05 0.54 -0.10 -0.55 8.47 8.42 2x71A1 GLN 39 HA -0.12 0.02 0.42 -0.75 4.36 3.93 2x71A1 GLN 39 HB2 -0.07 0.03 0.12 -0.04 2.15 2.19 2x71A1 GLN 39 HB3 -0.05 0.04 0.16 -0.04 2.02 2.12 2x71A1 GLN 39 HG2 -0.31 -0.04 -0.03 -0.04 2.40 1.98 2x71A1 GLN 39 HG3 -0.95 -0.01 -0.17 -0.04 2.39 1.21 2x71A1 GLN 39 HE21 -0.16 -0.02 0.02 -0.04 6.97 6.77 2x71A1 GLN 39 HE22 -0.33 -0.02 -0.00 -0.04 7.69 7.29 2x71A1 PHE 40 H 0.20 0.47 -0.22 -0.55 8.34 8.23 2x71A1 PHE 40 HA 0.03 0.13 0.69 -0.75 4.62 4.72 2x71A1 PHE 40 HB2 0.04 0.14 0.04 -0.04 3.15 3.34 2x71A1 PHE 40 HB3 0.05 -0.07 0.09 -0.04 3.06 3.09 2x71A1 PHE 40 HD2 0.03 0.14 0.05 -0.04 7.28 7.45 2x71A1 PHE 40 HE2 0.01 -0.03 -0.08 -0.04 7.38 7.24 2x71A1 PHE 40 HZ 0.01 0.01 -0.18 -0.04 7.32 7.11 2x71A1 ASP 41 H 0.09 0.20 -0.46 -0.55 8.40 7.68 2x71A1 ASP 41 HA 0.09 0.11 0.40 -0.75 4.63 4.47 2x71A1 ASP 41 HB2 0.06 0.02 -0.13 -0.04 2.71 2.62 2x71A1 ASP 41 HB3 0.06 -0.13 0.23 -0.04 2.70 2.82 2x71A1 ALA 42 H 0.14 0.43 0.11 -0.55 8.40 8.54 2x71A1 ALA 42 HA 0.13 0.09 0.87 -0.75 4.34 4.68 2x71A1 ALA 42 HB3 0.14 0.02 -0.13 -0.04 1.41 1.40 2x71A1 LYS 43 H 0.16 0.72 0.36 -0.55 8.42 9.11 2x71A1 LYS 43 HA 0.18 0.07 0.89 -0.75 4.32 4.71 2x71A1 LYS 43 HB2 0.09 -0.02 0.03 -0.04 1.87 1.93 2x71A1 LYS 43 HB3 0.17 0.01 0.09 -0.04 1.79 2.02 2x71A1 LYS 43 HG2 0.23 -0.00 -0.27 -0.04 1.46 1.38 2x71A1 LYS 43 HG3 0.18 0.02 -0.03 -0.04 1.46 1.59 2x71A1 LYS 43 HD2 -0.06 -0.03 -0.05 -0.04 1.69 1.50 2x71A1 LYS 43 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.60 2x71A1 LYS 43 HE2 -0.15 -0.03 -0.05 -0.04 2.99 2.72 2x71A1 LYS 43 HE3 -0.09 0.01 -0.08 -0.04 2.99 2.79 2x71A1 LEU 44 H 0.26 0.12 0.13 -0.55 8.37 8.33 2x71A1 LEU 44 HA 0.02 0.31 0.99 -0.75 4.35 4.92 2x71A1 LEU 44 HB2 0.20 -0.06 0.06 -0.04 1.64 1.79 2x71A1 LEU 44 HB3 0.03 -0.02 -0.15 -0.04 1.64 1.46 2x71A1 LEU 44 HG 0.05 0.01 -0.19 -0.04 1.64 1.46 2x71A1 LEU 44 HD13 0.03 0.01 -0.04 -0.04 0.93 0.88 2x71A1 LEU 44 HD23 -0.08 0.03 -0.10 -0.04 0.89 0.70 2x71A1 GLY 45 H -0.33 0.89 0.29 -0.55 8.43 8.74 2x71A1 GLY 45 HA2 0.08 0.31 0.91 -0.51 4.01 4.80 2x71A1 GLY 45 HA3 -0.18 -0.05 0.33 -0.51 4.01 3.60 2x71A1 ILE 46 H -0.03 0.81 0.19 -0.55 8.25 8.67 2x71A1 ILE 46 HA -0.10 0.43 1.17 -0.75 4.18 4.93 2x71A1 ILE 46 HB -0.39 -0.09 -0.00 -0.04 1.89 1.37 2x71A1 ILE 46 HG12 -0.23 0.03 -0.09 -0.04 1.49 1.16 2x71A1 ILE 46 HG13 -0.21 0.07 -0.48 -0.04 1.21 0.55 2x71A1 ILE 46 HG23 -0.20 0.03 -0.26 -0.04 0.93 0.46 2x71A1 ILE 46 HD13 -0.86 -0.01 -0.15 -0.04 0.88 -0.17 2x71A1 PHE 47 H 0.06 0.54 0.29 -0.55 8.34 8.67 2x71A1 PHE 47 HA -0.03 0.23 0.53 -0.75 4.62 4.60 2x71A1 PHE 47 HB2 -0.03 -0.08 -0.03 -0.04 3.15 2.97 2x71A1 PHE 47 HB3 -0.03 0.04 -0.16 -0.04 3.06 2.87 2x71A1 PHE 47 HD2 -0.02 -0.06 -0.11 -0.04 7.28 7.05 2x71A1 PHE 47 HE2 -0.01 -0.00 -0.12 -0.04 7.38 7.20 2x71A1 PHE 47 HZ -0.01 0.03 -0.11 -0.04 7.32 7.19 2x71A1 ALA 48 H -0.46 0.66 0.30 -0.55 8.40 8.35 2x71A1 ALA 48 HA -0.17 0.39 1.06 -0.75 4.34 4.87 2x71A1 ALA 48 HB3 -0.11 -0.02 0.04 -0.04 1.41 1.27 2x71A1 LEU 49 H -0.15 0.70 0.30 -0.55 8.37 8.68 2x71A1 LEU 49 HA -0.21 0.30 0.90 -0.75 4.35 4.59 2x71A1 LEU 49 HB2 -0.02 -0.01 -0.10 -0.04 1.64 1.47 2x71A1 LEU 49 HB3 0.06 -0.05 0.09 -0.04 1.64 1.69 2x71A1 LEU 49 HG -0.00 -0.04 -0.56 -0.04 1.64 0.99 2x71A1 LEU 49 HD13 0.04 0.03 -0.14 -0.04 0.93 0.81 2x71A1 LEU 49 HD23 0.10 -0.01 -0.09 -0.04 0.89 0.85 2x71A1 ASP 50 H -0.07 0.72 0.20 -0.55 8.40 8.70 2x71A1 ASP 50 HA -0.05 0.19 0.86 -0.75 4.63 4.88 2x71A1 ASP 50 HB2 -0.02 0.11 0.13 -0.04 2.71 2.89 2x71A1 ASP 50 HB3 -0.02 -0.17 0.27 -0.04 2.70 2.73 2x71A1 THR 51 H -0.06 0.71 0.23 -0.55 8.28 8.61 2x71A1 THR 51 HA -0.01 0.05 0.39 -0.75 4.39 4.07 2x71A1 THR 51 HB -0.02 -0.01 0.10 -0.04 4.32 4.35 2x71A1 THR 51 HG23 -0.04 0.01 -0.01 -0.04 1.22 1.13 2x71A1 GLY 52 H -0.03 0.09 -0.29 -0.55 8.43 7.65 2x71A1 GLY 52 HA2 -0.01 0.17 0.68 -0.51 4.01 4.33 2x71A1 GLY 52 HA3 -0.02 -0.02 0.30 -0.51 4.01 3.76 2x71A1 THR 53 H -0.01 0.13 -0.17 -0.55 8.28 7.67 2x71A1 THR 53 HA -0.00 0.28 0.95 -0.75 4.39 4.86 2x71A1 THR 53 HB -0.00 0.04 0.09 -0.04 4.32 4.41 2x71A1 THR 53 HG23 -0.01 0.00 -0.15 -0.04 1.22 1.03 2x71A1 ASN 54 H -0.01 0.31 0.12 -0.55 8.53 8.40 2x71A1 ASN 54 HA 0.00 0.06 0.30 -0.75 4.76 4.37 2x71A1 ASN 54 HB2 0.01 0.15 -0.15 -0.04 2.88 2.84 2x71A1 ASN 54 HB3 0.01 -0.05 0.22 -0.04 2.79 2.94 2x71A1 ASN 54 HD21 0.01 -0.01 -0.05 -0.04 7.03 6.94 2x71A1 ASN 54 HD22 0.01 0.02 -0.10 -0.04 7.74 7.63 2x71A1 ARG 55 H -0.01 -0.03 -0.34 -0.55 8.46 7.52 2x71A1 ARG 55 HA -0.01 0.11 0.75 -0.75 4.34 4.44 2x71A1 ARG 55 HB2 -0.01 -0.09 0.09 -0.04 1.90 1.84 2x71A1 ARG 55 HB3 -0.01 0.10 0.01 -0.04 1.80 1.86 2x71A1 ARG 55 HG2 -0.00 0.04 0.01 -0.04 1.67 1.68 2x71A1 ARG 55 HG3 -0.00 -0.03 -0.02 -0.04 1.67 1.58 2x71A1 ARG 55 HD2 0.01 0.03 0.03 -0.04 3.22 3.24 2x71A1 ARG 55 HD3 0.00 0.05 0.04 -0.04 3.22 3.27 2x71A1 THR 56 H -0.04 0.18 0.21 -0.55 8.28 8.08 2x71A1 THR 56 HA -0.22 0.35 1.05 -0.75 4.39 4.82 2x71A1 THR 56 HB -0.37 -0.02 0.03 -0.04 4.32 3.93 2x71A1 THR 56 HG23 -0.09 0.02 -0.14 -0.04 1.22 0.96 2x71A1 VAL 57 H -0.25 0.49 0.27 -0.55 8.24 8.20 2x71A1 VAL 57 HA 0.01 0.16 0.63 -0.75 4.13 4.18 2x71A1 VAL 57 HB -0.02 -0.09 0.09 -0.04 2.12 2.06 2x71A1 VAL 57 HG13 0.23 -0.00 -0.11 -0.04 0.97 1.05 2x71A1 VAL 57 HG23 0.01 0.05 -0.14 -0.04 0.95 0.83 2x71A1 THR 59 H 0.06 0.26 0.11 -0.55 8.28 8.16 2x71A1 THR 59 HA 0.00 0.34 0.99 -0.75 4.39 4.97 2x71A1 THR 59 HB 0.11 -0.05 0.10 -0.04 4.32 4.44 2x71A1 THR 59 HG23 0.10 0.00 -0.18 -0.04 1.22 1.10 2x71A1 TYR 60 H 0.01 0.60 0.19 -0.55 8.29 8.55 2x71A1 TYR 60 HA -0.03 0.05 0.51 -0.75 4.56 4.33 2x71A1 TYR 60 HB2 -0.47 0.10 -0.11 -0.04 3.06 2.53 2x71A1 TYR 60 HB3 -0.55 -0.03 0.02 -0.04 2.98 2.38 2x71A1 TYR 60 HD2 0.01 0.08 -0.05 -0.04 7.15 7.15 2x71A1 TYR 60 HE2 0.09 0.02 -0.01 -0.04 6.85 6.91 2x71A1 ARG 61 H -0.37 0.15 0.14 -0.55 8.46 7.83 2x71A1 ARG 61 HA -0.12 0.02 0.37 -0.75 4.34 3.85 2x71A1 ARG 61 HB2 0.03 0.32 0.42 -0.04 1.90 2.63 2x71A1 ARG 61 HB3 -0.03 -0.07 0.24 -0.04 1.80 1.90 2x71A1 ARG 61 HG2 -0.31 -0.03 0.09 -0.04 1.67 1.39 2x71A1 ARG 61 HG3 -0.77 -0.07 -0.08 -0.04 1.67 0.71 2x71A1 ARG 61 HD2 0.10 0.26 0.06 -0.04 3.22 3.60 2x71A1 ARG 61 HD3 -0.04 -0.04 0.03 -0.04 3.22 3.13 2x71A1 PRO 62 HA 0.08 0.11 0.17 -0.51 4.44 4.29 2x71A1 PRO 62 HB2 0.11 -0.00 0.01 -0.04 2.28 2.36 2x71A1 PRO 62 HB3 0.20 0.17 0.19 -0.04 2.02 2.54 2x71A1 PRO 62 HG2 0.03 0.05 -0.00 -0.04 2.03 2.08 2x71A1 PRO 62 HG3 0.09 0.09 0.03 -0.04 2.03 2.19 2x71A1 PRO 62 HD2 -0.03 0.10 0.12 -0.04 3.68 3.83 2x71A1 PRO 62 HD3 -0.00 0.03 -0.02 -0.04 3.65 3.61 2x71A1 ASP 63 H 0.01 0.07 -0.38 -0.55 8.40 7.55 2x71A1 ASP 63 HA -0.00 0.08 0.81 -0.75 4.63 4.76 2x71A1 ASP 63 HB2 -0.02 0.02 -0.05 -0.04 2.71 2.62 2x71A1 ASP 63 HB3 -0.02 0.05 0.09 -0.04 2.70 2.77 2x71A1 GLU 64 H 0.04 0.22 -0.22 -0.55 8.60 8.10 2x71A1 GLU 64 HA -0.07 0.10 0.74 -0.75 4.29 4.31 2x71A1 GLU 64 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 2x71A1 GLU 64 HB3 -0.23 0.12 -0.12 -0.04 1.99 1.72 2x71A1 GLU 64 HG2 -0.09 0.01 0.05 -0.04 2.34 2.27 2x71A1 GLU 64 HG3 -0.07 -0.08 0.02 -0.04 2.34 2.17 2x71A1 ARG 65 H -0.15 0.09 0.09 -0.55 8.46 7.94 2x71A1 ARG 65 HA 0.03 0.27 0.54 -0.75 4.34 4.43 2x71A1 ARG 65 HB2 -0.13 -0.05 0.03 -0.04 1.90 1.72 2x71A1 ARG 65 HB3 -0.09 0.06 -0.12 -0.04 1.80 1.60 2x71A1 ARG 65 HG2 -0.01 -0.02 -0.28 -0.04 1.67 1.32 2x71A1 ARG 65 HG3 -0.04 -0.01 -0.13 -0.04 1.67 1.45 2x71A1 ARG 65 HD2 -0.06 -0.01 -0.09 -0.04 3.22 3.02 2x71A1 ARG 65 HD3 -0.05 0.04 -0.09 -0.04 3.22 3.09 2x71A1 PHE 66 H 0.16 0.62 0.27 -0.55 8.34 8.84 2x71A1 PHE 66 HA -0.05 0.11 0.56 -0.75 4.62 4.49 2x71A1 PHE 66 HB2 -0.00 -0.09 -0.16 -0.04 3.15 2.86 2x71A1 PHE 66 HB3 -0.01 0.12 -0.12 -0.04 3.06 3.01 2x71A1 PHE 66 HD2 -0.01 0.07 -0.35 -0.04 7.28 6.94 2x71A1 PHE 66 HE2 -0.01 0.05 -0.23 -0.04 7.38 7.16 2x71A1 PHE 66 HZ 0.00 0.00 -0.70 -0.04 7.32 6.58 2x71A1 ALA 67 H 0.02 0.16 0.02 -0.55 8.40 8.05 2x71A1 ALA 67 HA -0.22 0.32 0.68 -0.75 4.34 4.37 2x71A1 ALA 67 HB3 -0.04 0.01 0.11 -0.04 1.41 1.44 2x71A1 PHE 68 H -0.61 0.46 0.20 -0.55 8.34 7.84 2x71A1 PHE 68 HA 0.02 0.12 0.40 -0.75 4.62 4.41 2x71A1 PHE 68 HB2 0.00 -0.10 -0.10 -0.04 3.15 2.91 2x71A1 PHE 68 HB3 0.02 -0.03 -0.14 -0.04 3.06 2.87 2x71A1 PHE 68 HD2 0.00 0.10 -0.39 -0.04 7.28 6.95 2x71A1 PHE 68 HE2 -0.01 -0.04 -0.21 -0.04 7.38 7.08 2x71A1 PHE 68 HZ -0.03 -0.11 -0.06 -0.04 7.32 7.08 2x71A1 ALA 69 H 0.05 0.18 -0.23 -0.55 8.40 7.85 2x71A1 ALA 69 HA 0.12 0.06 0.17 -0.75 4.34 3.94 2x71A1 ALA 69 HB3 0.04 0.05 -0.15 -0.04 1.41 1.31 2x71A1 SER 70 H 0.04 0.05 0.27 -0.55 8.46 8.27 2x71A1 SER 70 HA 0.05 0.01 0.17 -0.75 4.49 3.97 2x71A1 SER 70 HB2 -0.00 0.14 0.23 -0.04 3.95 4.28 2x71A1 SER 70 HB3 0.01 0.01 0.21 -0.04 3.93 4.13 2x71A1 THR 71 H 0.05 0.33 -0.51 -0.55 8.28 7.60 2x71A1 THR 71 HA -0.02 0.11 0.27 -0.75 4.39 4.00 2x71A1 THR 71 HB -0.02 -0.05 -0.06 -0.04 4.32 4.16 2x71A1 THR 71 HG23 -0.01 0.04 -0.22 -0.04 1.22 0.99 2x71A1 ILE 72 H -0.10 0.43 -0.36 -0.55 8.25 7.68 2x71A1 ILE 72 HA -0.34 0.01 0.30 -0.75 4.18 3.39 2x71A1 ILE 72 HB -1.02 0.04 -0.05 -0.04 1.89 0.83 2x71A1 ILE 72 HG12 -0.51 -0.00 -0.09 -0.04 1.49 0.85 2x71A1 ILE 72 HG13 -0.32 -0.04 -0.05 -0.04 1.21 0.76 2x71A1 ILE 72 HG23 -0.03 0.02 -0.21 -0.04 0.93 0.67 2x71A1 ILE 72 HD13 -0.81 0.00 -0.10 -0.04 0.88 -0.07 2x71A1 LYS 73 H -0.07 0.54 -0.53 -0.55 8.42 7.80 2x71A1 LYS 73 HA -0.09 -0.02 0.40 -0.75 4.32 3.85 2x71A1 LYS 73 HB2 -0.04 0.25 0.10 -0.04 1.87 2.14 2x71A1 LYS 73 HB3 -0.06 -0.05 -0.10 -0.04 1.79 1.53 2x71A1 LYS 73 HG2 -0.03 -0.12 -0.02 -0.04 1.46 1.25 2x71A1 LYS 73 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.44 2x71A1 LYS 73 HD2 0.01 0.10 0.05 -0.04 1.69 1.81 2x71A1 LYS 73 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.56 2x71A1 LYS 73 HE2 0.04 0.09 -0.64 -0.04 2.99 2.44 2x71A1 LYS 73 HE3 0.02 -0.12 -0.07 -0.04 2.99 2.78 2x71A1 ALA 74 H -0.07 0.46 -0.17 -0.55 8.40 8.07 2x71A1 ALA 74 HA -0.04 0.07 0.42 -0.75 4.34 4.04 2x71A1 ALA 74 HB3 -0.00 0.04 0.04 -0.04 1.41 1.45 2x71A1 LEU 75 H -0.12 0.21 -0.21 -0.55 8.37 7.71 2x71A1 LEU 75 HA -0.22 0.12 0.37 -0.75 4.35 3.87 2x71A1 LEU 75 HB2 -0.14 0.03 -0.01 -0.04 1.64 1.49 2x71A1 LEU 75 HB3 0.03 0.03 -0.02 -0.04 1.64 1.64 2x71A1 LEU 75 HG -0.08 0.02 -0.06 -0.04 1.64 1.48 2x71A1 LEU 75 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.76 2x71A1 LEU 75 HD23 0.13 0.02 -0.25 -0.04 0.89 0.76 2x71A1 THR 76 H -0.17 0.47 -0.26 -0.55 8.28 7.77 2x71A1 THR 76 HA -0.16 0.04 0.39 -0.75 4.39 3.91 2x71A1 THR 76 HB -0.12 0.09 0.07 -0.04 4.32 4.31 2x71A1 THR 76 HG23 -0.10 -0.02 -0.16 -0.04 1.22 0.90 2x71A1 VAL 77 H -0.15 0.51 -0.15 -0.55 8.24 7.90 2x71A1 VAL 77 HA -0.11 0.00 0.54 -0.75 4.13 3.82 2x71A1 VAL 77 HB -0.07 0.12 0.11 -0.04 2.12 2.24 2x71A1 VAL 77 HG13 0.08 -0.00 -0.10 -0.04 0.97 0.91 2x71A1 VAL 77 HG23 -0.20 0.02 0.04 -0.04 0.95 0.76 2x71A1 GLY 78 H -0.34 0.44 -0.29 -0.55 8.43 7.70 2x71A1 GLY 78 HA2 -0.34 0.03 0.35 -0.51 4.01 3.54 2x71A1 GLY 78 HA3 -1.43 0.08 0.26 -0.51 4.01 2.40 2x71A1 VAL 79 H -0.49 0.46 -0.19 -0.55 8.24 7.47 2x71A1 VAL 79 HA -0.03 0.08 0.48 -0.75 4.13 3.90 2x71A1 VAL 79 HB -0.12 0.04 0.09 -0.04 2.12 2.09 2x71A1 VAL 79 HG13 0.00 -0.00 -0.11 -0.04 0.97 0.82 2x71A1 VAL 79 HG23 0.01 0.04 -0.02 -0.04 0.95 0.94 2x71A1 LEU 80 H -0.11 0.46 -0.18 -0.55 8.37 7.99 2x71A1 LEU 80 HA -0.02 0.04 0.42 -0.75 4.35 4.04 2x71A1 LEU 80 HB2 -0.05 0.01 0.07 -0.04 1.64 1.63 2x71A1 LEU 80 HB3 -0.04 0.07 0.16 -0.04 1.64 1.79 2x71A1 LEU 80 HG 0.02 -0.01 -0.18 -0.04 1.64 1.43 2x71A1 LEU 80 HD13 -0.01 -0.00 -0.04 -0.04 0.93 0.83 2x71A1 LEU 80 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.74 2x71A1 LEU 81 H -0.03 0.63 -0.24 -0.55 8.37 8.19 2x71A1 LEU 81 HA 0.06 0.02 0.42 -0.75 4.35 4.09 2x71A1 LEU 81 HB2 0.04 0.17 0.10 -0.04 1.64 1.90 2x71A1 LEU 81 HB3 0.07 -0.09 0.03 -0.04 1.64 1.61 2x71A1 LEU 81 HG 0.13 0.08 -0.01 -0.04 1.64 1.81 2x71A1 LEU 81 HD13 0.21 -0.00 -0.08 -0.04 0.93 1.02 2x71A1 LEU 81 HD23 0.19 -0.03 -0.04 -0.04 0.89 0.96 2x71A1 GLN 82 H 0.03 0.34 -0.24 -0.55 8.47 8.06 2x71A1 GLN 82 HA 0.07 0.03 0.54 -0.75 4.36 4.25 2x71A1 GLN 82 HB2 0.07 0.24 0.16 -0.04 2.15 2.58 2x71A1 GLN 82 HB3 0.08 -0.08 0.02 -0.04 2.02 2.00 2x71A1 GLN 82 HG2 0.18 0.16 0.09 -0.04 2.40 2.79 2x71A1 GLN 82 HG3 0.24 0.18 0.05 -0.04 2.39 2.82 2x71A1 GLN 82 HE21 0.17 -0.04 -0.01 -0.04 6.97 7.04 2x71A1 GLN 82 HE22 0.13 0.04 0.06 -0.04 7.69 7.88 2x71A1 GLN 83 H 0.03 0.28 -0.47 -0.55 8.47 7.76 2x71A1 GLN 83 HA 0.03 0.12 0.69 -0.75 4.36 4.44 2x71A1 GLN 83 HB2 0.01 0.03 0.06 -0.04 2.15 2.22 2x71A1 GLN 83 HB3 0.02 -0.08 0.08 -0.04 2.02 1.99 2x71A1 GLN 83 HG2 0.03 -0.03 -0.15 -0.04 2.40 2.20 2x71A1 GLN 83 HG3 0.02 0.40 0.03 -0.04 2.39 2.80 2x71A1 GLN 83 HE21 0.01 0.02 -0.02 -0.04 6.97 6.95 2x71A1 GLN 83 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.63 2x71A1 LYS 86 H 0.03 0.42 0.04 -0.55 8.42 8.36 2x71A1 LYS 86 HA 0.03 0.08 0.95 -0.75 4.32 4.62 2x71A1 LYS 86 HB2 0.04 0.02 -0.00 -0.04 1.87 1.89 2x71A1 LYS 86 HB3 0.04 -0.09 -0.05 -0.04 1.79 1.64 2x71A1 LYS 86 HG2 0.02 0.04 -0.17 -0.04 1.46 1.31 2x71A1 LYS 86 HG3 0.02 -0.08 -0.08 -0.04 1.46 1.28 2x71A1 LYS 86 HD2 0.02 -0.06 -0.10 -0.04 1.69 1.51 2x71A1 LYS 86 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 2x71A1 LYS 86 HE2 0.02 0.08 -0.09 -0.04 2.99 2.95 2x71A1 LYS 86 HE3 0.01 -0.04 -0.07 -0.04 2.99 2.85 2x71A1 SER 87 H 0.02 0.09 0.16 -0.55 8.46 8.19 2x71A1 SER 87 HA 0.02 0.22 0.70 -0.75 4.49 4.68 2x71A1 SER 87 HB2 0.02 -0.03 0.18 -0.04 3.95 4.08 2x71A1 SER 87 HB3 0.02 0.15 0.15 -0.04 3.93 4.21 2x71A1 ILE 88 H 0.02 0.18 0.15 -0.55 8.25 8.05 2x71A1 ILE 88 HA 0.04 0.15 0.41 -0.75 4.18 4.03 2x71A1 ILE 88 HB 0.01 -0.04 0.12 -0.04 1.89 1.94 2x71A1 ILE 88 HG12 0.00 -0.00 0.08 -0.04 1.49 1.52 2x71A1 ILE 88 HG13 -0.02 0.03 0.01 -0.04 1.21 1.19 2x71A1 ILE 88 HG23 0.01 0.01 -0.09 -0.04 0.93 0.81 2x71A1 ILE 88 HD13 0.01 0.03 -0.05 -0.04 0.88 0.82 2x71A1 GLU 89 H 0.02 0.08 -0.13 -0.55 8.60 8.03 2x71A1 GLU 89 HA 0.02 0.12 0.46 -0.75 4.29 4.15 2x71A1 GLU 89 HB2 0.01 -0.02 0.08 -0.04 2.09 2.12 2x71A1 GLU 89 HB3 0.02 0.06 -0.02 -0.04 1.99 2.01 2x71A1 GLU 89 HG2 0.01 0.03 0.02 -0.04 2.34 2.36 2x71A1 GLU 89 HG3 0.01 -0.03 -0.00 -0.04 2.34 2.28 2x71A1 ASP 90 H 0.02 0.04 -0.30 -0.55 8.40 7.62 2x71A1 ASP 90 HA 0.02 0.05 0.48 -0.75 4.63 4.43 2x71A1 ASP 90 HB2 0.03 0.28 0.10 -0.04 2.71 3.08 2x71A1 ASP 90 HB3 0.03 0.05 0.04 -0.04 2.70 2.77 2x71A1 LEU 91 H 0.05 0.38 -0.49 -0.55 8.37 7.75 2x71A1 LEU 91 HA 0.05 0.04 0.39 -0.75 4.35 4.07 2x71A1 LEU 91 HB2 0.09 0.23 0.08 -0.04 1.64 2.01 2x71A1 LEU 91 HB3 0.12 -0.19 0.04 -0.04 1.64 1.57 2x71A1 LEU 91 HG 0.08 0.22 -0.05 -0.04 1.64 1.85 2x71A1 LEU 91 HD13 0.22 -0.01 -0.05 -0.04 0.93 1.05 2x71A1 LEU 91 HD23 0.08 -0.00 -0.17 -0.04 0.89 0.75 2x71A1 ASN 92 H 0.04 0.47 -0.42 -0.55 8.53 8.07 2x71A1 ASN 92 HA 0.04 0.00 0.70 -0.75 4.76 4.74 2x71A1 ASN 92 HB2 0.02 0.18 0.10 -0.04 2.88 3.14 2x71A1 ASN 92 HB3 0.02 -0.05 0.13 -0.04 2.79 2.85 2x71A1 ASN 92 HD21 0.02 -0.03 -0.03 -0.04 7.03 6.95 2x71A1 ASN 92 HD22 0.02 0.01 0.06 -0.04 7.74 7.79 2x71A1 GLN 93 H 0.03 0.46 -0.31 -0.55 8.47 8.10 2x71A1 GLN 93 HA 0.02 0.00 0.45 -0.75 4.36 4.08 2x71A1 GLN 93 HB2 0.02 0.06 0.19 -0.04 2.15 2.38 2x71A1 GLN 93 HB3 0.02 -0.04 0.13 -0.04 2.02 2.09 2x71A1 GLN 93 HG2 0.02 0.16 -0.13 -0.04 2.40 2.40 2x71A1 GLN 93 HG3 0.02 -0.04 0.05 -0.04 2.39 2.38 2x71A1 GLN 93 HE21 0.02 0.00 0.01 -0.04 6.97 6.96 2x71A1 GLN 93 HE22 0.02 0.05 0.06 -0.04 7.69 7.79 2x71A1 ARG 94 H 0.02 0.12 0.23 -0.55 8.46 8.27 2x71A1 ARG 94 HA 0.02 0.01 0.45 -0.75 4.34 4.07 2x71A1 ARG 94 HB2 0.01 0.02 0.05 -0.04 1.90 1.94 2x71A1 ARG 94 HB3 0.01 -0.03 0.11 -0.04 1.80 1.85 2x71A1 ARG 94 HG2 0.01 -0.04 -0.33 -0.04 1.67 1.27 2x71A1 ARG 94 HG3 0.02 -0.08 -0.27 -0.04 1.67 1.31 2x71A1 ARG 94 HD2 0.00 -0.07 -0.03 -0.04 3.22 3.08 2x71A1 ARG 94 HD3 0.00 0.47 0.04 -0.04 3.22 3.69 2x71A1 ILE 95 H 0.05 0.88 0.33 -0.55 8.25 8.97 2x71A1 ILE 95 HA 0.05 0.13 0.87 -0.75 4.18 4.47 2x71A1 ILE 95 HB 0.09 -0.03 0.10 -0.04 1.89 2.01 2x71A1 ILE 95 HG12 0.03 0.06 -0.07 -0.04 1.49 1.47 2x71A1 ILE 95 HG13 0.02 -0.06 -0.07 -0.04 1.21 1.06 2x71A1 ILE 95 HG23 0.08 0.00 -0.10 -0.04 0.93 0.87 2x71A1 ILE 95 HD13 0.03 0.03 -0.15 -0.04 0.88 0.75 2x71A1 THR 96 H 0.05 0.18 0.14 -0.55 8.28 8.10 2x71A1 THR 96 HA -0.04 0.16 0.96 -0.75 4.39 4.71 2x71A1 THR 96 HB -0.06 0.06 0.04 -0.04 4.32 4.31 2x71A1 THR 96 HG23 -0.02 0.03 -0.12 -0.04 1.22 1.06 2x71A1 TYR 97 H -0.32 0.46 0.26 -0.55 8.29 8.14 2x71A1 TYR 97 HA -0.01 0.10 0.62 -0.75 4.56 4.52 2x71A1 TYR 97 HB2 -0.01 -0.07 0.08 -0.04 3.06 3.01 2x71A1 TYR 97 HB3 -0.01 0.11 -0.20 -0.04 2.98 2.83 2x71A1 TYR 97 HD2 -0.01 0.09 -0.33 -0.04 7.15 6.86 2x71A1 TYR 97 HE2 0.00 0.03 -0.18 -0.04 6.85 6.67 2x71A1 THR 98 H 0.13 0.08 0.18 -0.55 8.28 8.12 2x71A1 THR 98 HA -0.04 0.33 0.92 -0.75 4.39 4.84 2x71A1 THR 98 HB -0.00 -0.03 0.19 -0.04 4.32 4.45 2x71A1 THR 98 HG23 -0.01 0.05 -0.12 -0.04 1.22 1.10 2x71A1 ARG 99 H 0.01 0.23 0.16 -0.55 8.46 8.31 2x71A1 ARG 99 HA 0.05 0.10 0.49 -0.75 4.34 4.23 2x71A1 ARG 99 HB2 0.01 -0.00 0.10 -0.04 1.90 1.96 2x71A1 ARG 99 HB3 0.01 0.08 0.07 -0.04 1.80 1.92 2x71A1 ARG 99 HG2 -0.00 -0.05 0.08 -0.04 1.67 1.66 2x71A1 ARG 99 HG3 -0.00 0.05 0.06 -0.04 1.67 1.73 2x71A1 ARG 99 HD2 0.01 0.02 0.08 -0.04 3.22 3.29 2x71A1 ARG 99 HD3 0.02 -0.01 0.04 -0.04 3.22 3.23 2x71A1 ASP 100 H 0.03 -0.02 -0.31 -0.55 8.40 7.55 2x71A1 ASP 100 HA 0.01 0.18 0.51 -0.75 4.63 4.57 2x71A1 ASP 100 HB2 0.01 -0.10 0.04 -0.04 2.71 2.62 2x71A1 ASP 100 HB3 0.00 0.07 -0.10 -0.04 2.70 2.63 2x71A1 ASP 101 H 0.06 0.08 -0.20 -0.55 8.40 7.79 2x71A1 ASP 101 HA -0.01 0.11 0.50 -0.75 4.63 4.47 2x71A1 ASP 101 HB2 0.14 0.13 0.08 -0.04 2.71 3.02 2x71A1 ASP 101 HB3 -0.02 -0.02 -0.01 -0.04 2.70 2.61 2x71A1 LEU 102 H 0.05 0.15 -0.53 -0.55 8.37 7.49 2x71A1 LEU 102 HA -0.00 -0.17 0.36 -0.75 4.35 3.78 2x71A1 LEU 102 HB2 0.04 0.25 0.15 -0.04 1.64 2.03 2x71A1 LEU 102 HB3 0.02 0.09 -0.06 -0.04 1.64 1.65 2x71A1 LEU 102 HG 0.02 -0.08 -0.04 -0.04 1.64 1.50 2x71A1 LEU 102 HD13 0.11 -0.01 -0.25 -0.04 0.93 0.74 2x71A1 LEU 102 HD23 0.05 -0.00 0.04 -0.04 0.89 0.94 2x71A1 VAL 103 H 0.00 -0.14 0.05 -0.55 8.24 7.60 2x71A1 VAL 103 HA 0.02 0.35 0.86 -0.75 4.13 4.61 2x71A1 VAL 103 HB 0.04 -0.08 0.14 -0.04 2.12 2.18 2x71A1 VAL 103 HG13 0.01 0.13 -0.10 -0.04 0.97 0.97 2x71A1 VAL 103 HG23 0.04 -0.04 -0.12 -0.04 0.95 0.79 2x71A1 ASN 104 H 0.07 0.09 0.10 -0.55 8.53 8.24 2x71A1 ASN 104 HA 0.06 0.24 0.52 -0.75 4.76 4.82 2x71A1 ASN 104 HB2 0.08 0.07 0.10 -0.04 2.88 3.09 2x71A1 ASN 104 HB3 0.06 0.02 0.08 -0.04 2.79 2.91 2x71A1 ASN 104 HD21 0.06 -0.00 0.01 -0.04 7.03 7.06 2x71A1 ASN 104 HD22 0.06 0.06 -0.02 -0.04 7.74 7.80 2x71A1 TYR 105 H 0.12 -0.04 -0.17 -0.55 8.29 7.65 2x71A1 TYR 105 HA 0.02 0.21 0.73 -0.75 4.56 4.77 2x71A1 TYR 105 HB2 0.03 0.09 -0.15 -0.04 3.06 2.99 2x71A1 TYR 105 HB3 0.03 -0.08 0.25 -0.04 2.98 3.14 2x71A1 TYR 105 HD2 0.04 0.11 0.13 -0.04 7.15 7.40 2x71A1 TYR 105 HE2 0.06 0.16 0.05 -0.04 6.85 7.09 2x71A1 ASN 106 H -0.15 0.33 -0.08 -0.55 8.53 8.08 2x71A1 ASN 106 HA -0.11 0.05 1.00 -0.75 4.76 4.94 2x71A1 ASN 106 HB2 -0.05 0.01 0.19 -0.04 2.88 2.99 2x71A1 ASN 106 HB3 -0.06 -0.10 0.07 -0.04 2.79 2.66 2x71A1 ASN 106 HD21 0.01 0.47 -0.18 -0.04 7.03 7.29 2x71A1 ASN 106 HD22 -0.02 0.04 -0.06 -0.04 7.74 7.65 2x71A1 PRO 107 HA -0.19 0.11 0.20 -0.51 4.44 4.05 2x71A1 PRO 107 HB2 -0.23 0.09 -0.01 -0.04 2.28 2.09 2x71A1 PRO 107 HB3 -0.26 0.08 0.08 -0.04 2.02 1.89 2x71A1 PRO 107 HG2 -0.13 -0.06 0.03 -0.04 2.03 1.83 2x71A1 PRO 107 HG3 -0.19 0.28 0.03 -0.04 2.03 2.11 2x71A1 PRO 107 HD2 -0.27 0.03 -0.02 -0.04 3.68 3.39 2x71A1 PRO 107 HD3 -1.06 0.14 -0.15 -0.04 3.65 2.55 2x71A1 ILE 108 H -0.14 -0.06 -0.28 -0.55 8.25 7.22 2x71A1 ILE 108 HA -0.08 0.30 0.80 -0.75 4.18 4.45 2x71A1 ILE 108 HB -0.10 -0.12 0.06 -0.04 1.89 1.69 2x71A1 ILE 108 HG12 -0.35 -0.06 -0.04 -0.04 1.49 1.00 2x71A1 ILE 108 HG13 -0.32 0.05 -0.01 -0.04 1.21 0.88 2x71A1 ILE 108 HG23 -0.04 0.03 -0.10 -0.04 0.93 0.78 2x71A1 ILE 108 HD13 -0.69 0.06 -0.19 -0.04 0.88 0.01 2x71A1 THR 109 H -0.05 -0.05 -0.05 -0.55 8.28 7.58 2x71A1 THR 109 HA 0.15 0.15 0.17 -0.75 4.39 4.10 2x71A1 THR 109 HB -0.26 0.10 -0.14 -0.04 4.32 3.98 2x71A1 THR 109 HG23 -0.20 0.00 -0.12 -0.04 1.22 0.87 2x71A1 GLU 110 H -0.01 0.41 -0.22 -0.55 8.60 8.23 2x71A1 GLU 110 HA 0.07 0.02 0.42 -0.75 4.29 4.04 2x71A1 GLU 110 HB2 -0.01 0.00 0.06 -0.04 2.09 2.11 2x71A1 GLU 110 HB3 -0.02 -0.08 0.07 -0.04 1.99 1.92 2x71A1 GLU 110 HG2 -0.06 0.08 -0.17 -0.04 2.34 2.16 2x71A1 GLU 110 HG3 -0.04 0.02 -0.28 -0.04 2.34 2.00 2x71A1 LYS 111 H 0.03 0.44 -0.59 -0.55 8.42 7.75 2x71A1 LYS 111 HA -0.12 0.11 0.56 -0.75 4.32 4.12 2x71A1 LYS 111 HB2 -0.22 0.12 0.09 -0.04 1.87 1.82 2x71A1 LYS 111 HB3 -0.26 -0.04 0.16 -0.04 1.79 1.61 2x71A1 LYS 111 HG2 -0.07 -0.13 -0.09 -0.04 1.46 1.13 2x71A1 LYS 111 HG3 -0.09 0.08 0.13 -0.04 1.46 1.54 2x71A1 LYS 111 HD2 -0.09 -0.01 0.03 -0.04 1.69 1.57 2x71A1 LYS 111 HD3 -0.08 -0.02 -0.06 -0.04 1.68 1.48 2x71A1 LYS 111 HE2 -0.05 -0.03 -0.00 -0.04 2.99 2.87 2x71A1 LYS 111 HE3 -0.06 -0.06 -0.07 -0.04 2.99 2.77 2x71A1 HIS 112 H 0.12 0.39 -0.35 -0.55 8.41 8.03 2x71A1 HIS 112 HA -0.02 0.19 0.87 -0.75 4.63 4.92 2x71A1 HIS 112 HB2 0.14 -0.04 -0.09 -0.04 3.26 3.23 2x71A1 HIS 112 HB3 0.03 0.15 0.05 -0.04 3.20 3.39 2x71A1 HIS 112 HD2 -0.00 0.01 0.00 -0.04 6.97 6.94 2x71A1 HIS 112 HE1 -0.04 -0.02 -0.05 -0.04 7.75 7.60 2x71A1 VAL 113 H -0.00 0.23 -0.11 -0.55 8.24 7.80 2x71A1 VAL 113 HA -0.54 0.07 0.32 -0.75 4.13 3.23 2x71A1 VAL 113 HB -0.05 0.02 0.08 -0.04 2.12 2.13 2x71A1 VAL 113 HG13 -0.09 0.00 -0.13 -0.04 0.97 0.70 2x71A1 VAL 113 HG23 0.09 0.02 -0.09 -0.04 0.95 0.93 2x71A1 ASP 114 H -0.08 0.10 -0.15 -0.55 8.40 7.73 2x71A1 ASP 114 HA -0.09 0.06 0.35 -0.75 4.63 4.20 2x71A1 ASP 114 HB2 -0.05 0.02 0.01 -0.04 2.71 2.64 2x71A1 ASP 114 HB3 -0.04 0.03 0.02 -0.04 2.70 2.67 2x71A1 THR 115 H -0.06 0.15 -0.44 -0.55 8.28 7.38 2x71A1 THR 115 HA -0.03 0.17 0.73 -0.75 4.39 4.50 2x71A1 THR 115 HB 0.01 -0.11 -0.02 -0.04 4.32 4.16 2x71A1 THR 115 HG23 0.13 0.07 -0.01 -0.04 1.22 1.37 2x71A1 GLY 116 H -0.17 0.34 0.02 -0.55 8.43 8.07 2x71A1 GLY 116 HA2 -0.19 -0.02 0.43 -0.51 4.01 3.72 2x71A1 GLY 116 HA3 -0.04 0.07 0.59 -0.51 4.01 4.13 2x71A1 MET 117 H 0.15 0.60 0.29 -0.55 8.47 8.97 2x71A1 MET 117 HA -0.01 0.13 0.75 -0.75 4.52 4.63 2x71A1 MET 117 HB2 0.13 -0.03 -0.04 -0.04 2.15 2.17 2x71A1 MET 117 HB3 -0.03 -0.01 -0.09 -0.04 2.03 1.86 2x71A1 MET 117 HG2 -0.25 0.05 -0.06 -0.04 2.63 2.33 2x71A1 MET 117 HG3 0.14 0.07 -0.51 -0.04 2.56 2.22 2x71A1 MET 117 HE3 -0.15 -0.02 -0.29 -0.04 2.10 1.60 2x71A1 THR 118 H -0.01 0.11 0.13 -0.55 8.28 7.96 2x71A1 THR 118 HA 0.02 0.30 0.59 -0.75 4.39 4.54 2x71A1 THR 118 HB 0.03 0.23 0.07 -0.04 4.32 4.60 2x71A1 THR 118 HG23 0.01 0.03 0.00 -0.04 1.22 1.23 2x71A1 LEU 119 H 0.02 0.64 0.19 -0.55 8.37 8.67 2x71A1 LEU 119 HA -0.02 -0.01 0.46 -0.75 4.35 4.02 2x71A1 LEU 119 HB2 0.03 0.08 0.21 -0.04 1.64 1.91 2x71A1 LEU 119 HB3 0.01 -0.04 -0.03 -0.04 1.64 1.54 2x71A1 LEU 119 HG 0.01 0.10 0.05 -0.04 1.64 1.76 2x71A1 LEU 119 HD13 0.02 0.04 -0.04 -0.04 0.93 0.91 2x71A1 LEU 119 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.80 2x71A1 LYS 120 H 0.05 0.64 -0.06 -0.55 8.42 8.49 2x71A1 LYS 120 HA 0.16 0.08 0.47 -0.75 4.32 4.27 2x71A1 LYS 120 HB2 0.13 0.08 -0.01 -0.04 1.87 2.04 2x71A1 LYS 120 HB3 0.11 -0.06 0.00 -0.04 1.79 1.80 2x71A1 LYS 120 HG2 0.41 -0.03 -0.15 -0.04 1.46 1.64 2x71A1 LYS 120 HG3 0.45 0.02 0.00 -0.04 1.46 1.89 2x71A1 LYS 120 HD2 0.11 0.02 -0.06 -0.04 1.69 1.72 2x71A1 LYS 120 HD3 0.12 -0.01 -0.08 -0.04 1.68 1.67 2x71A1 LYS 120 HE2 0.17 -0.00 -0.06 -0.04 2.99 3.05 2x71A1 LYS 120 HE3 0.09 0.01 -0.04 -0.04 2.99 3.01 2x71A1 GLU 121 H 0.01 0.11 -0.19 -0.55 8.60 7.99 2x71A1 GLU 121 HA -0.01 0.06 0.46 -0.75 4.29 4.04 2x71A1 GLU 121 HB2 -0.05 0.07 0.11 -0.04 2.09 2.18 2x71A1 GLU 121 HB3 -0.10 -0.01 0.01 -0.04 1.99 1.84 2x71A1 GLU 121 HG2 -0.02 0.05 0.03 -0.04 2.34 2.36 2x71A1 GLU 121 HG3 0.01 -0.03 0.05 -0.04 2.34 2.33 2x71A1 LEU 122 H -0.08 0.59 -0.27 -0.55 8.37 8.07 2x71A1 LEU 122 HA -0.13 -0.07 0.50 -0.75 4.35 3.91 2x71A1 LEU 122 HB2 -0.09 0.18 0.13 -0.04 1.64 1.81 2x71A1 LEU 122 HB3 -0.12 -0.04 -0.02 -0.04 1.64 1.43 2x71A1 LEU 122 HG -0.05 0.12 -0.17 -0.04 1.64 1.49 2x71A1 LEU 122 HD13 -0.04 0.00 -0.11 -0.04 0.93 0.74 2x71A1 LEU 122 HD23 -0.15 -0.04 -0.08 -0.04 0.89 0.57 2x71A1 ALA 123 H -0.25 0.68 -0.05 -0.55 8.40 8.24 2x71A1 ALA 123 HA -0.41 -0.02 0.43 -0.75 4.34 3.59 2x71A1 ALA 123 HB3 -0.85 0.06 0.10 -0.04 1.41 0.67 2x71A1 ASP 124 H -0.53 0.55 -0.19 -0.55 8.40 7.68 2x71A1 ASP 124 HA -0.94 0.08 0.45 -0.75 4.63 3.46 2x71A1 ASP 124 HB2 0.02 0.09 0.10 -0.04 2.71 2.88 2x71A1 ASP 124 HB3 -0.08 0.06 0.15 -0.04 2.70 2.79 2x71A1 ALA 125 H -0.14 0.59 -0.11 -0.55 8.40 8.19 2x71A1 ALA 125 HA 0.14 0.03 0.41 -0.75 4.34 4.17 2x71A1 ALA 125 HB3 -0.07 -0.00 0.10 -0.04 1.41 1.39 2x71A1 SER 126 H -0.17 0.70 -0.19 -0.55 8.46 8.25 2x71A1 SER 126 HA -0.03 -0.05 0.50 -0.75 4.49 4.15 2x71A1 SER 126 HB2 -0.12 -0.07 -0.07 -0.04 3.95 3.65 2x71A1 SER 126 HB3 -0.19 0.14 0.13 -0.04 3.93 3.96 2x71A1 LEU 127 H -0.23 0.66 -0.07 -0.55 8.37 8.19 2x71A1 LEU 127 HA -0.05 0.02 0.40 -0.75 4.35 3.96 2x71A1 LEU 127 HB2 -0.16 0.10 0.08 -0.04 1.64 1.61 2x71A1 LEU 127 HB3 0.02 0.03 -0.07 -0.04 1.64 1.57 2x71A1 LEU 127 HG -0.24 0.03 0.05 -0.04 1.64 1.44 2x71A1 LEU 127 HD13 0.02 0.00 -0.04 -0.04 0.93 0.87 2x71A1 LEU 127 HD23 -0.04 -0.01 -0.19 -0.04 0.89 0.61 2x71A1 ARG 128 H -0.03 0.59 0.01 -0.55 8.46 8.47 2x71A1 ARG 128 HA -0.07 0.12 0.77 -0.75 4.34 4.41 2x71A1 ARG 128 HB2 0.01 -0.03 0.07 -0.04 1.90 1.91 2x71A1 ARG 128 HB3 -0.17 0.06 0.17 -0.04 1.80 1.81 2x71A1 ARG 128 HG2 0.08 0.20 -0.16 -0.04 1.67 1.75 2x71A1 ARG 128 HG3 0.04 0.03 0.10 -0.04 1.67 1.80 2x71A1 ARG 128 HD2 0.09 0.25 -0.13 -0.04 3.22 3.39 2x71A1 ARG 128 HD3 0.29 -0.06 0.03 -0.04 3.22 3.44 2x71A1 TYR 129 H 0.10 0.28 -0.08 -0.55 8.29 8.04 2x71A1 TYR 129 HA 0.06 0.19 0.95 -0.75 4.56 5.00 2x71A1 TYR 129 HB2 -0.02 0.07 0.14 -0.04 3.06 3.22 2x71A1 TYR 129 HB3 -0.01 -0.10 0.11 -0.04 2.98 2.94 2x71A1 TYR 129 HD2 0.01 -0.02 -0.03 -0.04 7.15 7.07 2x71A1 TYR 129 HE2 0.03 0.02 -0.04 -0.04 6.85 6.82 2x71A1 SER 130 H 0.07 0.22 -0.14 -0.55 8.46 8.07 2x71A1 SER 130 HA 0.07 0.28 0.42 -0.75 4.49 4.50 2x71A1 SER 130 HB2 0.08 -0.02 -0.15 -0.04 3.95 3.82 2x71A1 SER 130 HB3 0.21 0.05 0.19 -0.04 3.93 4.35 2x71A1 ASP 131 H 0.09 0.43 -0.08 -0.55 8.40 8.29 2x71A1 ASP 131 HA 0.04 0.16 0.59 -0.75 4.63 4.67 2x71A1 ASP 131 HB2 0.00 0.16 -0.03 -0.04 2.71 2.80 2x71A1 ASP 131 HB3 -0.03 -0.03 -0.13 -0.04 2.70 2.47 2x71A1 ASN 132 H 0.10 0.82 0.51 -0.55 8.53 9.41 2x71A1 ASN 132 HA 0.06 0.10 0.44 -0.75 4.76 4.61 2x71A1 ASN 132 HB2 0.11 -0.03 0.20 -0.04 2.88 3.12 2x71A1 ASN 132 HB3 0.08 -0.05 -0.02 -0.04 2.79 2.75 2x71A1 ASN 132 HD21 0.09 0.09 0.09 -0.04 7.03 7.26 2x71A1 ASN 132 HD22 0.13 -0.19 0.08 -0.04 7.74 7.72 2x71A1 THR 133 H -0.02 0.10 -0.02 -0.55 8.28 7.79 2x71A1 THR 133 HA -0.04 0.20 0.53 -0.75 4.39 4.33 2x71A1 THR 133 HB -0.13 -0.12 -0.00 -0.04 4.32 4.03 2x71A1 THR 133 HG23 -0.28 0.07 -0.25 -0.04 1.22 0.72 2x71A1 ALA 134 H -0.08 0.02 -0.37 -0.55 8.40 7.41 2x71A1 ALA 134 HA -0.15 0.08 0.41 -0.75 4.34 3.93 2x71A1 ALA 134 HB3 -0.10 0.09 0.04 -0.04 1.41 1.39 2x71A1 GLN 135 H -0.03 0.41 -0.14 -0.55 8.47 8.16 2x71A1 GLN 135 HA -0.05 0.07 0.46 -0.75 4.36 4.08 2x71A1 GLN 135 HB2 -0.02 0.04 0.07 -0.04 2.15 2.21 2x71A1 GLN 135 HB3 0.02 0.07 0.19 -0.04 2.02 2.26 2x71A1 GLN 135 HG2 0.01 -0.03 -0.08 -0.04 2.40 2.26 2x71A1 GLN 135 HG3 0.02 -0.03 -0.34 -0.04 2.39 2.00 2x71A1 GLN 135 HE21 -0.11 0.06 -0.16 -0.04 6.97 6.72 2x71A1 GLN 135 HE22 -0.07 -0.01 -0.15 -0.04 7.69 7.42 2x71A1 ASN 136 H 0.04 0.51 -0.10 -0.55 8.53 8.43 2x71A1 ASN 136 HA 0.34 -0.03 0.42 -0.75 4.76 4.73 2x71A1 ASN 136 HB2 0.03 0.11 0.20 -0.04 2.88 3.18 2x71A1 ASN 136 HB3 0.07 0.02 0.07 -0.04 2.79 2.90 2x71A1 ASN 136 HD21 0.10 0.41 0.13 -0.04 7.03 7.63 2x71A1 ASN 136 HD22 0.02 0.08 0.05 -0.04 7.74 7.85 2x71A1 LEU 137 H -0.03 0.44 -0.25 -0.55 8.37 7.98 2x71A1 LEU 137 HA 0.01 0.05 0.40 -0.75 4.35 4.05 2x71A1 LEU 137 HB2 -0.10 0.04 0.12 -0.04 1.64 1.67 2x71A1 LEU 137 HB3 -0.05 0.00 -0.02 -0.04 1.64 1.54 2x71A1 LEU 137 HG -0.15 0.16 0.02 -0.04 1.64 1.63 2x71A1 LEU 137 HD13 -0.43 -0.03 -0.16 -0.04 0.93 0.27 2x71A1 LEU 137 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.76 2x71A1 ILE 138 H -0.03 0.54 -0.07 -0.55 8.25 8.14 2x71A1 ILE 138 HA -0.02 0.04 0.45 -0.75 4.18 3.90 2x71A1 ILE 138 HB -0.06 0.06 0.10 -0.04 1.89 1.95 2x71A1 ILE 138 HG12 -0.08 0.00 -0.02 -0.04 1.49 1.35 2x71A1 ILE 138 HG13 -0.08 0.02 0.02 -0.04 1.21 1.12 2x71A1 ILE 138 HG23 -0.07 -0.01 -0.24 -0.04 0.93 0.58 2x71A1 ILE 138 HD13 -0.15 -0.04 -0.27 -0.04 0.88 0.39 2x71A1 LEU 139 H 0.01 0.74 -0.09 -0.55 8.37 8.49 2x71A1 LEU 139 HA -0.05 0.02 0.33 -0.75 4.35 3.91 2x71A1 LEU 139 HB2 0.02 0.17 0.12 -0.04 1.64 1.91 2x71A1 LEU 139 HB3 -0.04 -0.01 -0.07 -0.04 1.64 1.47 2x71A1 LEU 139 HG -0.15 0.02 -0.09 -0.04 1.64 1.38 2x71A1 LEU 139 HD13 -0.69 -0.02 -0.12 -0.04 0.93 0.05 2x71A1 LEU 139 HD23 -0.17 -0.05 -0.27 -0.04 0.89 0.36 2x71A1 LYS 140 H 0.17 0.53 -0.26 -0.55 8.42 8.30 2x71A1 LYS 140 HA 0.16 -0.05 0.45 -0.75 4.32 4.12 2x71A1 LYS 140 HB2 0.07 0.17 0.21 -0.04 1.87 2.28 2x71A1 LYS 140 HB3 0.06 -0.01 0.01 -0.04 1.79 1.81 2x71A1 LYS 140 HG2 0.11 -0.04 0.04 -0.04 1.46 1.52 2x71A1 LYS 140 HG3 0.20 0.02 0.06 -0.04 1.46 1.69 2x71A1 LYS 140 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 2x71A1 LYS 140 HD3 -0.08 -0.04 0.00 -0.04 1.68 1.52 2x71A1 LYS 140 HE2 -0.01 0.04 -0.09 -0.04 2.99 2.89 2x71A1 LYS 140 HE3 -0.08 -0.05 -0.03 -0.04 2.99 2.79 2x71A1 GLN 141 H 0.03 0.41 -0.15 -0.55 8.47 8.21 2x71A1 GLN 141 HA 0.02 -0.00 0.37 -0.75 4.36 4.00 2x71A1 GLN 141 HB2 0.00 0.14 0.18 -0.04 2.15 2.44 2x71A1 GLN 141 HB3 0.01 -0.03 0.00 -0.04 2.02 1.96 2x71A1 GLN 141 HG2 0.01 0.13 0.06 -0.04 2.40 2.56 2x71A1 GLN 141 HG3 0.00 -0.08 -0.00 -0.04 2.39 2.27 2x71A1 GLN 141 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.93 2x71A1 GLN 141 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 2x71A1 ILE 142 H 0.01 0.35 -0.29 -0.55 8.25 7.76 2x71A1 ILE 142 HA 0.01 0.22 0.88 -0.75 4.18 4.53 2x71A1 ILE 142 HB -0.01 -0.01 0.02 -0.04 1.89 1.85 2x71A1 ILE 142 HG12 -0.03 0.08 -0.01 -0.04 1.49 1.48 2x71A1 ILE 142 HG13 -0.03 0.00 -0.19 -0.04 1.21 0.95 2x71A1 ILE 142 HG23 -0.02 0.01 -0.17 -0.04 0.93 0.71 2x71A1 ILE 142 HD13 -0.06 -0.02 -0.10 -0.04 0.88 0.66 2x71A1 GLY 143 H 0.03 0.40 -0.25 -0.55 8.43 8.07 2x71A1 GLY 143 HA2 0.04 0.03 0.28 -0.51 4.01 3.85 2x71A1 GLY 143 HA3 0.02 0.11 0.65 -0.51 4.01 4.28 2x71A1 GLY 144 H 0.02 0.68 0.04 -0.55 8.43 8.62 2x71A1 GLY 144 HA2 -0.08 -0.01 0.12 -0.51 4.01 3.53 2x71A1 GLY 144 HA3 0.04 0.10 0.48 -0.51 4.01 4.13 2x71A1 PRO 145 HA -0.14 0.02 0.17 -0.51 4.44 3.98 2x71A1 PRO 145 HB2 -0.07 0.16 -0.23 -0.04 2.28 2.10 2x71A1 PRO 145 HB3 -0.11 -0.13 -0.52 -0.04 2.02 1.23 2x71A1 PRO 145 HG2 -0.26 0.18 -0.25 -0.04 2.03 1.66 2x71A1 PRO 145 HG3 -0.60 0.03 -0.31 -0.04 2.03 1.11 2x71A1 PRO 145 HD2 -0.09 0.17 0.11 -0.04 3.68 3.82 2x71A1 PRO 145 HD3 -0.69 0.08 0.07 -0.04 3.65 3.07 2x71A1 GLU 146 H -0.03 0.15 -0.25 -0.55 8.60 7.93 2x71A1 GLU 146 HA -0.00 0.12 0.39 -0.75 4.29 4.04 2x71A1 GLU 146 HB2 0.01 -0.02 0.09 -0.04 2.09 2.13 2x71A1 GLU 146 HB3 0.01 0.08 -0.05 -0.04 1.99 1.98 2x71A1 GLU 146 HG2 0.01 0.02 -0.00 -0.04 2.34 2.32 2x71A1 GLU 146 HG3 0.01 0.01 0.06 -0.04 2.34 2.38 2x71A1 SER 147 H -0.01 0.24 -0.35 -0.55 8.46 7.79 2x71A1 SER 147 HA 0.00 0.03 0.54 -0.75 4.49 4.31 2x71A1 SER 147 HB2 -0.01 0.08 -0.13 -0.04 3.95 3.85 2x71A1 SER 147 HB3 0.00 0.08 0.06 -0.04 3.93 4.04 2x71A1 LEU 148 H -0.04 0.48 -0.20 -0.55 8.37 8.07 2x71A1 LEU 148 HA -0.02 0.05 0.43 -0.75 4.35 4.06 2x71A1 LEU 148 HB2 -0.08 -0.00 -0.05 -0.04 1.64 1.47 2x71A1 LEU 148 HB3 -0.06 0.12 0.04 -0.04 1.64 1.69 2x71A1 LEU 148 HG -0.06 0.02 -0.34 -0.04 1.64 1.22 2x71A1 LEU 148 HD13 -0.07 -0.01 -0.13 -0.04 0.93 0.68 2x71A1 LEU 148 HD23 -0.14 -0.03 -0.12 -0.04 0.89 0.56 2x71A1 LYS 149 H -0.01 0.67 -0.13 -0.55 8.42 8.39 2x71A1 LYS 149 HA 0.01 -0.00 0.42 -0.75 4.32 3.99 2x71A1 LYS 149 HB2 0.01 0.15 0.17 -0.04 1.87 2.16 2x71A1 LYS 149 HB3 0.01 0.09 0.14 -0.04 1.79 1.99 2x71A1 LYS 149 HG2 0.02 -0.03 0.02 -0.04 1.46 1.42 2x71A1 LYS 149 HG3 0.03 -0.00 0.07 -0.04 1.46 1.51 2x71A1 LYS 149 HD2 0.01 -0.01 -0.09 -0.04 1.69 1.56 2x71A1 LYS 149 HD3 0.01 -0.01 -0.06 -0.04 1.68 1.59 2x71A1 LYS 149 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.91 2x71A1 LYS 149 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 2x71A1 LYS 150 H 0.00 0.49 -0.20 -0.55 8.42 8.16 2x71A1 LYS 150 HA 0.01 -0.01 0.40 -0.75 4.32 3.96 2x71A1 LYS 150 HB2 0.01 0.12 0.22 -0.04 1.87 2.18 2x71A1 LYS 150 HB3 0.01 -0.02 0.01 -0.04 1.79 1.75 2x71A1 LYS 150 HG2 0.01 -0.04 0.04 -0.04 1.46 1.43 2x71A1 LYS 150 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 2x71A1 LYS 150 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 2x71A1 LYS 150 HD3 0.01 0.02 -0.04 -0.04 1.68 1.62 2x71A1 LYS 150 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2x71A1 LYS 150 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 2x71A1 GLU 151 H 0.02 0.63 -0.13 -0.55 8.60 8.58 2x71A1 GLU 151 HA 0.04 0.02 0.53 -0.75 4.29 4.13 2x71A1 GLU 151 HB2 0.05 0.05 0.14 -0.04 2.09 2.29 2x71A1 GLU 151 HB3 0.09 -0.04 0.04 -0.04 1.99 2.04 2x71A1 GLU 151 HG2 0.02 0.29 0.06 -0.04 2.34 2.67 2x71A1 GLU 151 HG3 0.03 -0.02 -0.01 -0.04 2.34 2.30 2x71A1 LEU 152 H 0.04 0.62 -0.12 -0.55 8.37 8.36 2x71A1 LEU 152 HA 0.06 -0.00 0.56 -0.75 4.35 4.21 2x71A1 LEU 152 HB2 0.02 0.19 0.16 -0.04 1.64 1.97 2x71A1 LEU 152 HB3 0.03 -0.15 0.04 -0.04 1.64 1.52 2x71A1 LEU 152 HG 0.05 0.23 0.01 -0.04 1.64 1.88 2x71A1 LEU 152 HD13 -0.02 -0.05 -0.14 -0.04 0.93 0.68 2x71A1 LEU 152 HD23 0.18 -0.03 -0.05 -0.04 0.89 0.95 2x71A1 ARG 153 H 0.01 0.70 -0.01 -0.55 8.46 8.61 2x71A1 ARG 153 HA -0.01 0.15 0.42 -0.75 4.34 4.16 2x71A1 ARG 153 HB2 0.00 0.10 0.15 -0.04 1.90 2.11 2x71A1 ARG 153 HB3 -0.00 -0.09 -0.01 -0.04 1.80 1.66 2x71A1 ARG 153 HG2 0.01 0.24 0.06 -0.04 1.67 1.94 2x71A1 ARG 153 HG3 0.00 -0.10 -0.04 -0.04 1.67 1.49 2x71A1 ARG 153 HD2 -0.00 -0.09 -0.01 -0.04 3.22 3.07 2x71A1 ARG 153 HD3 -0.00 0.25 0.09 -0.04 3.22 3.52 2x71A1 LYS 154 H 0.01 0.53 -0.21 -0.55 8.42 8.20 2x71A1 LYS 154 HA -0.01 -0.01 0.39 -0.75 4.32 3.93 2x71A1 LYS 154 HB2 0.01 0.19 0.17 -0.04 1.87 2.21 2x71A1 LYS 154 HB3 0.00 -0.06 0.02 -0.04 1.79 1.71 2x71A1 LYS 154 HG2 0.00 -0.09 0.04 -0.04 1.46 1.38 2x71A1 LYS 154 HG3 0.01 0.28 0.08 -0.04 1.46 1.79 2x71A1 LYS 154 HD2 0.02 0.02 0.00 -0.04 1.69 1.69 2x71A1 LYS 154 HD3 0.01 -0.05 0.01 -0.04 1.68 1.61 2x71A1 LYS 154 HE2 0.01 -0.05 -0.03 -0.04 2.99 2.88 2x71A1 LYS 154 HE3 0.01 0.02 -0.12 -0.04 2.99 2.86 2x71A1 ILE 155 H -0.02 0.32 -0.38 -0.55 8.25 7.62 2x71A1 ILE 155 HA -0.07 0.14 0.69 -0.75 4.18 4.19 2x71A1 ILE 155 HB -0.21 -0.08 0.14 -0.04 1.89 1.70 2x71A1 ILE 155 HG12 -0.05 0.08 0.19 -0.04 1.49 1.66 2x71A1 ILE 155 HG13 -0.09 -0.04 -0.14 -0.04 1.21 0.90 2x71A1 ILE 155 HG23 -0.12 0.06 -0.01 -0.04 0.93 0.81 2x71A1 ILE 155 HD13 -0.39 -0.04 0.01 -0.04 0.88 0.41 2x71A1 GLY 156 H -0.03 0.44 -0.50 -0.55 8.43 7.79 2x71A1 GLY 156 HA2 -0.03 0.05 0.21 -0.51 4.01 3.73 2x71A1 GLY 156 HA3 -0.05 0.09 0.57 -0.51 4.01 4.11 2x71A1 ASP 157 H -0.04 0.58 -0.03 -0.55 8.40 8.36 2x71A1 ASP 157 HA -0.04 -0.01 0.72 -0.75 4.63 4.55 2x71A1 ASP 157 HB2 -0.03 0.04 0.02 -0.04 2.71 2.70 2x71A1 ASP 157 HB3 -0.01 0.10 0.04 -0.04 2.70 2.79 2x71A1 GLU 158 H -0.03 0.16 0.13 -0.55 8.60 8.33 2x71A1 GLU 158 HA -0.01 0.20 0.45 -0.75 4.29 4.18 2x71A1 GLU 158 HB2 -0.02 -0.00 0.06 -0.04 2.09 2.08 2x71A1 GLU 158 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.97 2x71A1 GLU 158 HG2 -0.02 0.03 -0.05 -0.04 2.34 2.26 2x71A1 GLU 158 HG3 -0.01 -0.03 -0.01 -0.04 2.34 2.25 2x71A1 VAL 159 H -0.00 -0.10 -0.28 -0.55 8.24 7.32 2x71A1 VAL 159 HA 0.00 0.23 0.57 -0.75 4.13 4.17 2x71A1 VAL 159 HB -0.01 -0.12 0.08 -0.04 2.12 2.03 2x71A1 VAL 159 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.73 2x71A1 VAL 159 HG23 -0.02 0.01 -0.11 -0.04 0.95 0.78 2x71A1 THR 160 H 0.03 -0.07 -0.01 -0.55 8.28 7.67 2x71A1 THR 160 HA 0.15 0.14 0.48 -0.75 4.39 4.40 2x71A1 THR 160 HB 0.03 0.06 0.03 -0.04 4.32 4.40 2x71A1 THR 160 HG23 0.01 -0.00 -0.17 -0.04 1.22 1.02 2x71A1 ASN 161 H 0.26 0.41 0.23 -0.55 8.53 8.88 2x71A1 ASN 161 HA 0.08 0.26 0.89 -0.75 4.76 5.23 2x71A1 ASN 161 HB2 0.03 0.21 -0.07 -0.04 2.88 3.02 2x71A1 ASN 161 HB3 0.02 0.07 0.30 -0.04 2.79 3.15 2x71A1 ASN 161 HD21 -0.00 -0.05 -0.13 -0.04 7.03 6.81 2x71A1 ASN 161 HD22 -0.01 0.07 -0.40 -0.04 7.74 7.35 2x71A1 PRO 162 HA 0.34 -0.07 0.53 -0.51 4.44 4.74 2x71A1 PRO 162 HB2 0.00 0.06 -0.02 -0.04 2.28 2.28 2x71A1 PRO 162 HB3 0.07 -0.01 0.02 -0.04 2.02 2.05 2x71A1 PRO 162 HG2 -0.01 0.05 -0.11 -0.04 2.03 1.92 2x71A1 PRO 162 HG3 -0.04 -0.01 -0.12 -0.04 2.03 1.82 2x71A1 PRO 162 HD2 0.05 0.14 0.11 -0.04 3.68 3.95 2x71A1 PRO 162 HD3 0.09 0.21 -0.46 -0.04 3.65 3.45 2x71A1 GLU 163 H 0.06 -0.05 0.30 -0.55 8.60 8.37 2x71A1 GLU 163 HA 0.00 0.24 0.88 -0.75 4.29 4.66 2x71A1 GLU 163 HB2 0.00 -0.03 0.08 -0.04 2.09 2.10 2x71A1 GLU 163 HB3 0.01 0.01 0.04 -0.04 1.99 2.01 2x71A1 GLU 163 HG2 0.01 0.12 -0.12 -0.04 2.34 2.30 2x71A1 GLU 163 HG3 0.01 0.05 -0.26 -0.04 2.34 2.10 2x71A1 ARG 164 H 0.02 -0.03 0.21 -0.55 8.46 8.10 2x71A1 ARG 164 HA 0.04 0.22 0.84 -0.75 4.34 4.70 2x71A1 ARG 164 HB2 0.03 -0.04 -0.04 -0.04 1.90 1.81 2x71A1 ARG 164 HB3 0.08 0.06 -0.09 -0.04 1.80 1.81 2x71A1 ARG 164 HG2 0.07 0.04 -0.11 -0.04 1.67 1.64 2x71A1 ARG 164 HG3 0.03 -0.07 -0.39 -0.04 1.67 1.20 2x71A1 ARG 164 HD2 0.04 -0.03 -0.21 -0.04 3.22 2.98 2x71A1 ARG 164 HD3 0.03 0.02 -0.08 -0.04 3.22 3.15 2x71A1 PHE 165 H 0.32 0.15 0.12 -0.55 8.34 8.38 2x71A1 PHE 165 HA 0.03 0.14 0.66 -0.75 4.62 4.70 2x71A1 PHE 165 HB2 0.02 0.02 0.07 -0.04 3.15 3.21 2x71A1 PHE 165 HB3 0.01 0.04 0.16 -0.04 3.06 3.23 2x71A1 PHE 165 HD2 0.01 -0.06 0.08 -0.04 7.28 7.27 2x71A1 PHE 165 HE2 0.00 0.09 0.01 -0.04 7.38 7.44 2x71A1 PHE 165 HZ 0.00 0.04 -0.06 -0.04 7.32 7.26 2x71A1 GLU 166 H 0.20 0.17 0.14 -0.55 8.60 8.56 2x71A1 GLU 166 HA 0.10 -0.02 0.64 -0.75 4.29 4.26 2x71A1 GLU 166 HB2 0.09 0.04 0.08 -0.04 2.09 2.26 2x71A1 GLU 166 HB3 0.08 0.02 0.12 -0.04 1.99 2.16 2x71A1 GLU 166 HG2 0.08 -0.04 -0.01 -0.04 2.34 2.33 2x71A1 GLU 166 HG3 0.06 0.05 0.09 -0.04 2.34 2.51 2x71A1 PRO 167 HA 0.07 0.04 0.42 -0.51 4.44 4.46 2x71A1 PRO 167 HB2 0.05 0.09 0.12 -0.04 2.28 2.50 2x71A1 PRO 167 HB3 0.06 -0.03 0.14 -0.04 2.02 2.15 2x71A1 PRO 167 HG2 0.04 0.10 -0.05 -0.04 2.03 2.08 2x71A1 PRO 167 HG3 0.05 0.04 0.08 -0.04 2.03 2.16 2x71A1 PRO 167 HD2 0.05 0.15 0.25 -0.04 3.68 4.09 2x71A1 PRO 167 HD3 0.05 0.05 0.28 -0.04 3.65 3.99 2x71A1 GLU 168 H 0.08 0.26 -0.12 -0.55 8.60 8.28 2x71A1 GLU 168 HA 0.04 0.10 0.46 -0.75 4.29 4.14 2x71A1 GLU 168 HB2 0.05 0.05 0.10 -0.04 2.09 2.24 2x71A1 GLU 168 HB3 0.04 0.03 0.08 -0.04 1.99 2.10 2x71A1 GLU 168 HG2 0.10 0.10 -0.04 -0.04 2.34 2.46 2x71A1 GLU 168 HG3 0.07 0.03 -0.02 -0.04 2.34 2.38 2x71A1 LEU 169 H 0.07 0.27 -0.25 -0.55 8.37 7.91 2x71A1 LEU 169 HA 0.01 0.10 0.50 -0.75 4.35 4.21 2x71A1 LEU 169 HB2 0.08 -0.03 0.04 -0.04 1.64 1.69 2x71A1 LEU 169 HB3 0.08 0.09 -0.22 -0.04 1.64 1.54 2x71A1 LEU 169 HG 0.09 -0.11 -0.22 -0.04 1.64 1.35 2x71A1 LEU 169 HD13 0.17 0.01 -0.35 -0.04 0.93 0.73 2x71A1 LEU 169 HD23 0.13 -0.01 -0.27 -0.04 0.89 0.70 2x71A1 ASN 170 H 0.04 0.37 -0.36 -0.55 8.53 8.03 2x71A1 ASN 170 HA 0.00 0.08 0.67 -0.75 4.76 4.76 2x71A1 ASN 170 HB2 0.03 0.18 0.16 -0.04 2.88 3.21 2x71A1 ASN 170 HB3 0.04 -0.13 0.22 -0.04 2.79 2.88 2x71A1 ASN 170 HD21 0.05 -0.10 0.09 -0.04 7.03 7.03 2x71A1 ASN 170 HD22 0.04 0.29 0.24 -0.04 7.74 8.27 2x71A1 GLU 171 H 0.02 0.29 -0.37 -0.55 8.60 8.00 2x71A1 GLU 171 HA 0.04 0.03 0.43 -0.75 4.29 4.04 2x71A1 GLU 171 HB2 0.02 0.20 0.25 -0.04 2.09 2.51 2x71A1 GLU 171 HB3 0.02 -0.03 0.13 -0.04 1.99 2.08 2x71A1 GLU 171 HG2 0.03 -0.00 0.03 -0.04 2.34 2.35 2x71A1 GLU 171 HG3 0.03 -0.08 0.07 -0.04 2.34 2.32 2x71A1 VAL 172 H 0.05 0.50 0.21 -0.55 8.24 8.45 2x71A1 VAL 172 HA -0.02 0.14 0.93 -0.75 4.13 4.42 2x71A1 VAL 172 HB -0.04 -0.07 0.04 -0.04 2.12 2.01 2x71A1 VAL 172 HG13 -0.11 -0.01 -0.23 -0.04 0.97 0.58 2x71A1 VAL 172 HG23 -0.12 0.01 -0.24 -0.04 0.95 0.56 2x71A1 ASN 173 H -0.03 0.13 0.09 -0.55 8.53 8.17 2x71A1 ASN 173 HA -0.14 0.19 0.83 -0.75 4.76 4.89 2x71A1 ASN 173 HB2 -0.03 -0.04 0.06 -0.04 2.88 2.84 2x71A1 ASN 173 HB3 -0.03 0.09 0.08 -0.04 2.79 2.89 2x71A1 ASN 173 HD21 0.05 -0.02 -0.04 -0.04 7.03 6.98 2x71A1 ASN 173 HD22 0.02 0.01 -0.01 -0.04 7.74 7.73 2x71A1 PRO 174 HA -0.25 0.06 0.42 -0.51 4.44 4.15 2x71A1 PRO 174 HB2 -0.17 0.00 0.04 -0.04 2.28 2.11 2x71A1 PRO 174 HB3 -0.22 0.04 0.08 -0.04 2.02 1.87 2x71A1 PRO 174 HG2 -0.33 0.05 0.10 -0.04 2.03 1.82 2x71A1 PRO 174 HG3 -0.67 0.11 0.09 -0.04 2.03 1.52 2x71A1 PRO 174 HD2 -0.29 0.06 0.22 -0.04 3.68 3.62 2x71A1 PRO 174 HD3 -1.42 0.17 0.22 -0.04 3.65 2.58 2x71A1 GLY 175 H -0.15 0.17 0.10 -0.55 8.43 8.00 2x71A1 GLY 175 HA2 -0.09 -0.02 0.34 -0.51 4.01 3.74 2x71A1 GLY 175 HA3 -0.08 0.14 0.68 -0.51 4.01 4.25 2x71A1 GLU 176 H -0.10 0.46 -0.41 -0.55 8.60 8.00 2x71A1 GLU 176 HA -0.06 0.04 0.52 -0.75 4.29 4.04 2x71A1 GLU 176 HB2 -0.08 0.16 0.09 -0.04 2.09 2.21 2x71A1 GLU 176 HB3 -0.06 -0.14 0.08 -0.04 1.99 1.83 2x71A1 GLU 176 HG2 -0.04 -0.01 -0.02 -0.04 2.34 2.22 2x71A1 GLU 176 HG3 -0.06 0.12 -0.07 -0.04 2.34 2.29 2x71A1 THR 177 H -0.05 0.06 0.17 -0.55 8.28 7.91 2x71A1 THR 177 HA -0.07 0.23 0.84 -0.75 4.39 4.63 2x71A1 THR 177 HB -0.03 0.04 0.07 -0.04 4.32 4.35 2x71A1 THR 177 HG23 -0.04 0.02 -0.09 -0.04 1.22 1.06 2x71A1 GLN 178 H -0.06 -0.04 0.04 -0.55 8.47 7.87 2x71A1 GLN 178 HA -0.04 0.10 0.47 -0.75 4.36 4.14 2x71A1 GLN 178 HB2 -0.04 -0.01 0.03 -0.04 2.15 2.09 2x71A1 GLN 178 HB3 -0.03 -0.01 0.11 -0.04 2.02 2.05 2x71A1 GLN 178 HG2 -0.06 -0.11 0.05 -0.04 2.40 2.24 2x71A1 GLN 178 HG3 -0.06 0.09 -0.08 -0.04 2.39 2.30 2x71A1 GLN 178 HE21 -0.02 0.02 0.03 -0.04 6.97 6.97 2x71A1 GLN 178 HE22 -0.03 -0.08 0.07 -0.04 7.69 7.61 2x71A1 ASP 179 H -0.07 0.70 0.40 -0.55 8.40 8.88 2x71A1 ASP 179 HA -0.46 -0.06 0.28 -0.75 4.63 3.64 2x71A1 ASP 179 HB2 -0.28 0.26 -0.02 -0.04 2.71 2.64 2x71A1 ASP 179 HB3 -0.55 -0.09 0.23 -0.04 2.70 2.26 2x71A1 THR 180 H -0.19 0.42 -0.14 -0.55 8.28 7.83 2x71A1 THR 180 HA -0.30 0.03 0.99 -0.75 4.39 4.36 2x71A1 THR 180 HB -0.05 0.01 -0.11 -0.04 4.32 4.13 2x71A1 THR 180 HG23 -0.14 0.05 -0.53 -0.04 1.22 0.56 2x71A1 SER 181 H 0.13 0.56 0.19 -0.55 8.46 8.79 2x71A1 SER 181 HA 0.10 0.17 0.15 -0.75 4.49 4.16 2x71A1 SER 181 HB2 0.32 0.00 -0.12 -0.04 3.95 4.11 2x71A1 SER 181 HB3 0.18 0.06 -0.07 -0.04 3.93 4.06 2x71A1 THR 182 H 0.06 0.02 0.08 -0.55 8.28 7.88 2x71A1 THR 182 HA 0.16 0.46 0.76 -0.75 4.39 5.01 2x71A1 THR 182 HB 0.04 0.18 0.11 -0.04 4.32 4.61 2x71A1 THR 182 HG23 0.02 0.04 -0.51 -0.04 1.22 0.73 2x71A1 ALA 183 H 0.09 0.36 0.04 -0.55 8.40 8.34 2x71A1 ALA 183 HA 0.01 0.04 0.39 -0.75 4.34 4.03 2x71A1 ALA 183 HB3 0.04 0.03 -0.17 -0.04 1.41 1.26 2x71A1 ARG 184 H -0.05 0.57 0.00 -0.55 8.46 8.43 2x71A1 ARG 184 HA -0.69 0.08 0.32 -0.75 4.34 3.30 2x71A1 ARG 184 HB2 -0.23 0.07 0.05 -0.04 1.90 1.75 2x71A1 ARG 184 HB3 -0.21 -0.05 0.03 -0.04 1.80 1.54 2x71A1 ARG 184 HG2 -0.65 -0.01 -0.10 -0.04 1.67 0.88 2x71A1 ARG 184 HG3 -1.29 0.01 -0.01 -0.04 1.67 0.34 2x71A1 ARG 184 HD2 -0.19 -0.01 -0.08 -0.04 3.22 2.90 2x71A1 ARG 184 HD3 -0.24 0.05 -0.06 -0.04 3.22 2.93 2x71A1 ALA 185 H -0.08 0.06 -0.21 -0.55 8.40 7.62 2x71A1 ALA 185 HA -0.10 0.13 0.34 -0.75 4.34 3.95 2x71A1 ALA 185 HB3 -0.02 -0.03 0.07 -0.04 1.41 1.39 2x71A1 LEU 186 H -0.01 0.51 -0.18 -0.55 8.37 8.15 2x71A1 LEU 186 HA 0.00 0.03 0.39 -0.75 4.35 4.02 2x71A1 LEU 186 HB2 0.02 0.12 0.07 -0.04 1.64 1.81 2x71A1 LEU 186 HB3 0.01 -0.00 -0.08 -0.04 1.64 1.52 2x71A1 LEU 186 HG 0.07 -0.06 -0.05 -0.04 1.64 1.56 2x71A1 LEU 186 HD13 0.09 0.00 -0.19 -0.04 0.93 0.79 2x71A1 LEU 186 HD23 -0.02 -0.01 -0.14 -0.04 0.89 0.68 2x71A1 ALA 187 H 0.01 0.50 -0.13 -0.55 8.40 8.24 2x71A1 ALA 187 HA 0.04 0.03 0.38 -0.75 4.34 4.04 2x71A1 ALA 187 HB3 0.17 0.02 -0.02 -0.04 1.41 1.54 2x71A1 THR 188 H -0.08 0.51 -0.19 -0.55 8.28 7.98 2x71A1 THR 188 HA -0.03 0.02 0.33 -0.75 4.39 3.97 2x71A1 THR 188 HB -0.10 -0.00 0.10 -0.04 4.32 4.28 2x71A1 THR 188 HG23 -0.08 0.00 -0.08 -0.04 1.22 1.02 2x71A1 SER 189 H -0.03 0.58 -0.11 -0.55 8.46 8.35 2x71A1 SER 189 HA -0.11 0.08 0.46 -0.75 4.49 4.16 2x71A1 SER 189 HB2 0.03 0.04 0.13 -0.04 3.95 4.10 2x71A1 SER 189 HB3 0.11 -0.03 -0.01 -0.04 3.93 3.96 2x71A1 LEU 190 H 0.04 0.60 -0.15 -0.55 8.37 8.31 2x71A1 LEU 190 HA 0.18 0.00 0.47 -0.75 4.35 4.25 2x71A1 LEU 190 HB2 0.05 -0.03 0.04 -0.04 1.64 1.67 2x71A1 LEU 190 HB3 0.04 0.10 0.12 -0.04 1.64 1.86 2x71A1 LEU 190 HG 0.05 0.01 -0.33 -0.04 1.64 1.33 2x71A1 LEU 190 HD13 0.09 -0.02 -0.09 -0.04 0.93 0.87 2x71A1 LEU 190 HD23 0.02 0.00 -0.23 -0.04 0.89 0.64 2x71A1 GLN 191 H 0.02 0.75 -0.09 -0.55 8.47 8.60 2x71A1 GLN 191 HA 0.01 -0.02 0.41 -0.75 4.36 4.01 2x71A1 GLN 191 HB2 0.01 0.01 0.10 -0.04 2.15 2.23 2x71A1 GLN 191 HB3 -0.01 0.17 0.17 -0.04 2.02 2.31 2x71A1 GLN 191 HG2 -0.01 -0.03 -0.22 -0.04 2.40 2.10 2x71A1 GLN 191 HG3 -0.01 -0.03 -0.01 -0.04 2.39 2.29 2x71A1 GLN 191 HE21 0.02 -0.01 -0.05 -0.04 6.97 6.89 2x71A1 GLN 191 HE22 -0.00 0.01 -0.06 -0.04 7.69 7.60 2x71A1 ALA 192 H -0.07 0.56 -0.25 -0.55 8.40 8.10 2x71A1 ALA 192 HA -0.11 -0.06 0.34 -0.75 4.34 3.75 2x71A1 ALA 192 HB3 -0.34 0.06 0.12 -0.04 1.41 1.21 2x71A1 PHE 193 H -0.05 0.43 -0.12 -0.55 8.34 8.04 2x71A1 PHE 193 HA 0.02 0.03 0.41 -0.75 4.62 4.32 2x71A1 PHE 193 HB2 0.02 0.05 0.09 -0.04 3.15 3.28 2x71A1 PHE 193 HB3 0.04 -0.04 -0.04 -0.04 3.06 2.98 2x71A1 PHE 193 HD2 0.01 0.06 -0.10 -0.04 7.28 7.21 2x71A1 PHE 193 HE2 -0.01 -0.01 -0.14 -0.04 7.38 7.17 2x71A1 PHE 193 HZ -0.02 -0.00 -0.14 -0.04 7.32 7.12 2x71A1 ALA 194 H 0.14 0.56 -0.07 -0.55 8.40 8.48 2x71A1 ALA 194 HA 0.15 0.09 0.56 -0.75 4.34 4.39 2x71A1 ALA 194 HB3 0.13 -0.03 0.01 -0.04 1.41 1.48 2x71A1 LEU 195 H 0.05 0.61 0.06 -0.55 8.37 8.55 2x71A1 LEU 195 HA 0.09 0.17 0.98 -0.75 4.35 4.83 2x71A1 LEU 195 HB2 0.01 0.06 0.07 -0.04 1.64 1.73 2x71A1 LEU 195 HB3 0.03 -0.05 0.06 -0.04 1.64 1.63 2x71A1 LEU 195 HG 0.02 -0.07 -0.20 -0.04 1.64 1.35 2x71A1 LEU 195 HD13 -0.10 -0.02 -0.06 -0.04 0.93 0.70 2x71A1 LEU 195 HD23 0.13 0.04 -0.07 -0.04 0.89 0.95 2x71A1 GLU 196 H 0.01 0.26 0.05 -0.55 8.60 8.37 2x71A1 GLU 196 HA 0.00 0.16 0.83 -0.75 4.29 4.53 2x71A1 GLU 196 HB2 -0.06 0.12 0.18 -0.04 2.09 2.29 2x71A1 GLU 196 HB3 -0.03 -0.13 0.18 -0.04 1.99 1.97 2x71A1 GLU 196 HG2 -0.02 0.03 -0.25 -0.04 2.34 2.06 2x71A1 GLU 196 HG3 -0.05 -0.03 -0.14 -0.04 2.34 2.09 2x71A1 ASP 197 H -0.02 0.10 0.13 -0.55 8.40 8.07 2x71A1 ASP 197 HA 0.01 0.25 0.42 -0.75 4.63 4.55 2x71A1 ASP 197 HB2 0.00 -0.01 0.13 -0.04 2.71 2.79 2x71A1 ASP 197 HB3 -0.00 -0.03 0.09 -0.04 2.70 2.72 2x71A1 LYS 198 H -0.04 0.23 -0.50 -0.55 8.42 7.56 2x71A1 LYS 198 HA -0.03 0.03 0.50 -0.75 4.32 4.07 2x71A1 LYS 198 HB2 -0.19 0.30 -0.25 -0.04 1.87 1.70 2x71A1 LYS 198 HB3 -0.16 -0.03 -0.14 -0.04 1.79 1.42 2x71A1 LYS 198 HG2 -0.48 -0.05 -0.08 -0.04 1.46 0.81 2x71A1 LYS 198 HG3 -0.17 0.02 -0.00 -0.04 1.46 1.26 2x71A1 LYS 198 HD2 -0.09 -0.04 -0.11 -0.04 1.69 1.41 2x71A1 LYS 198 HD3 -0.14 0.04 -0.00 -0.04 1.68 1.54 2x71A1 LYS 198 HE2 -0.20 -0.03 0.04 -0.04 2.99 2.76 2x71A1 LYS 198 HE3 -0.14 0.05 0.05 -0.04 2.99 2.92 2x71A1 LEU 199 H 0.06 0.34 -0.10 -0.55 8.37 8.13 2x71A1 LEU 199 HA 0.08 0.18 0.69 -0.75 4.35 4.55 2x71A1 LEU 199 HB2 0.12 0.19 0.02 -0.04 1.64 1.92 2x71A1 LEU 199 HB3 0.08 -0.11 -0.06 -0.04 1.64 1.51 2x71A1 LEU 199 HG 0.35 -0.07 -0.22 -0.04 1.64 1.65 2x71A1 LEU 199 HD13 0.13 0.03 -0.15 -0.04 0.93 0.89 2x71A1 LEU 199 HD23 0.12 0.06 -0.10 -0.04 0.89 0.92 2x71A1 PRO 200 HA 0.02 0.18 0.68 -0.51 4.44 4.81 2x71A1 PRO 200 HB2 0.01 -0.11 0.08 -0.04 2.28 2.21 2x71A1 PRO 200 HB3 0.02 0.11 0.11 -0.04 2.02 2.21 2x71A1 PRO 200 HG2 0.02 -0.14 0.08 -0.04 2.03 1.95 2x71A1 PRO 200 HG3 0.02 0.10 0.08 -0.04 2.03 2.19 2x71A1 PRO 200 HD2 0.05 0.11 0.19 -0.04 3.68 3.98 2x71A1 PRO 200 HD3 0.04 0.26 0.11 -0.04 3.65 4.02 2x71A1 SER 201 H 0.01 0.17 0.15 -0.55 8.46 8.24 2x71A1 SER 201 HA 0.02 0.19 0.16 -0.75 4.49 4.11 2x71A1 SER 201 HB2 -0.00 0.04 0.02 -0.04 3.95 3.96 2x71A1 SER 201 HB3 0.01 0.09 0.12 -0.04 3.93 4.11 2x71A1 GLU 202 H -0.01 0.08 -0.15 -0.55 8.60 7.98 2x71A1 GLU 202 HA -0.04 0.08 0.44 -0.75 4.29 4.01 2x71A1 GLU 202 HB2 -0.02 -0.01 0.07 -0.04 2.09 2.09 2x71A1 GLU 202 HB3 -0.04 0.02 0.01 -0.04 1.99 1.94 2x71A1 GLU 202 HG2 -0.04 0.03 0.04 -0.04 2.34 2.33 2x71A1 GLU 202 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.27 2x71A1 LYS 203 H 0.00 0.27 -0.18 -0.55 8.42 7.96 2x71A1 LYS 203 HA -0.03 0.03 0.64 -0.75 4.32 4.20 2x71A1 LYS 203 HB2 0.04 0.13 0.10 -0.04 1.87 2.10 2x71A1 LYS 203 HB3 0.05 0.03 0.02 -0.04 1.79 1.84 2x71A1 LYS 203 HG2 0.01 -0.06 0.01 -0.04 1.46 1.39 2x71A1 LYS 203 HG3 0.01 -0.16 0.01 -0.04 1.46 1.27 2x71A1 LYS 203 HD2 0.03 -0.04 0.06 -0.04 1.69 1.70 2x71A1 LYS 203 HD3 0.05 0.20 0.05 -0.04 1.68 1.93 2x71A1 LYS 203 HE2 0.03 -0.07 0.08 -0.04 2.99 2.99 2x71A1 LYS 203 HE3 0.02 -0.24 0.06 -0.04 2.99 2.79 2x71A1 ARG 204 H 0.03 0.52 -0.16 -0.55 8.46 8.30 2x71A1 ARG 204 HA 0.08 0.12 0.46 -0.75 4.34 4.24 2x71A1 ARG 204 HB2 0.04 -0.07 0.01 -0.04 1.90 1.84 2x71A1 ARG 204 HB3 0.06 0.04 -0.06 -0.04 1.80 1.79 2x71A1 ARG 204 HG2 0.10 0.19 0.06 -0.04 1.67 1.97 2x71A1 ARG 204 HG3 0.07 -0.06 -0.15 -0.04 1.67 1.49 2x71A1 ARG 204 HD2 0.06 -0.10 -0.14 -0.04 3.22 2.99 2x71A1 ARG 204 HD3 0.07 -0.11 -0.60 -0.04 3.22 2.54 2x71A1 GLU 205 H -0.02 0.58 -0.15 -0.55 8.60 8.47 2x71A1 GLU 205 HA -0.04 0.05 0.46 -0.75 4.29 4.01 2x71A1 GLU 205 HB2 -0.07 0.04 0.15 -0.04 2.09 2.17 2x71A1 GLU 205 HB3 -0.10 -0.06 -0.02 -0.04 1.99 1.77 2x71A1 GLU 205 HG2 -0.03 0.11 0.02 -0.04 2.34 2.40 2x71A1 GLU 205 HG3 -0.07 -0.06 -0.00 -0.04 2.34 2.17 2x71A1 LEU 206 H -0.14 0.43 -0.19 -0.55 8.37 7.93 2x71A1 LEU 206 HA -0.47 -0.01 0.45 -0.75 4.35 3.57 2x71A1 LEU 206 HB2 -0.22 0.14 0.23 -0.04 1.64 1.75 2x71A1 LEU 206 HB3 -0.66 -0.01 -0.11 -0.04 1.64 0.82 2x71A1 LEU 206 HG -0.25 0.04 0.06 -0.04 1.64 1.44 2x71A1 LEU 206 HD13 -0.23 -0.01 -0.02 -0.04 0.93 0.63 2x71A1 LEU 206 HD23 -0.66 -0.02 0.01 -0.04 0.89 0.18 2x71A1 LEU 207 H -0.04 0.59 -0.21 -0.55 8.37 8.16 2x71A1 LEU 207 HA 0.37 -0.04 0.33 -0.75 4.35 4.26 2x71A1 LEU 207 HB2 0.14 0.03 0.04 -0.04 1.64 1.80 2x71A1 LEU 207 HB3 0.11 0.21 0.13 -0.04 1.64 2.05 2x71A1 LEU 207 HG 0.15 -0.02 -0.26 -0.04 1.64 1.47 2x71A1 LEU 207 HD13 0.16 -0.03 -0.04 -0.04 0.93 0.98 2x71A1 LEU 207 HD23 0.12 0.01 -0.17 -0.04 0.89 0.81 2x71A1 ILE 208 H 0.04 0.58 -0.15 -0.55 8.25 8.17 2x71A1 ILE 208 HA 0.17 -0.02 0.35 -0.75 4.18 3.93 2x71A1 ILE 208 HB 0.02 0.09 0.17 -0.04 1.89 2.13 2x71A1 ILE 208 HG12 0.35 -0.10 0.02 -0.04 1.49 1.72 2x71A1 ILE 208 HG13 0.16 0.09 0.11 -0.04 1.21 1.53 2x71A1 ILE 208 HG23 0.02 -0.02 -0.15 -0.04 0.93 0.74 2x71A1 ILE 208 HD13 0.23 0.04 -0.05 -0.04 0.88 1.06 2x71A1 ASP 209 H -0.10 0.65 -0.09 -0.55 8.40 8.32 2x71A1 ASP 209 HA -0.05 0.01 0.43 -0.75 4.63 4.26 2x71A1 ASP 209 HB2 -0.16 0.02 0.11 -0.04 2.71 2.64 2x71A1 ASP 209 HB3 -0.30 0.08 0.15 -0.04 2.70 2.59 2x71A1 TRP 210 H -0.04 0.59 -0.16 -0.55 7.97 7.81 2x71A1 TRP 210 HA 0.01 -0.01 0.43 -0.75 4.62 4.30 2x71A1 TRP 210 HB2 0.01 0.19 0.13 -0.04 3.23 3.52 2x71A1 TRP 210 HB3 0.01 -0.08 -0.06 -0.04 3.23 3.06 2x71A1 TRP 210 HD1 0.02 0.00 0.01 -0.04 7.22 7.21 2x71A1 TRP 210 HE1 0.01 -0.05 -0.03 -0.04 10.20 10.09 2x71A1 TRP 210 HE3 -0.00 0.05 -0.11 -0.04 7.59 7.48 2x71A1 TRP 210 HZ2 -0.00 -0.06 -0.00 -0.04 7.44 7.34 2x71A1 TRP 210 HZ3 -0.02 0.02 -0.12 -0.04 7.13 6.97 2x71A1 TRP 210 HH2 -0.01 -0.03 -0.04 -0.04 7.19 7.07 2x71A1 MET 211 H 0.21 0.45 -0.23 -0.55 8.47 8.36 2x71A1 MET 211 HA 0.13 0.08 0.39 -0.75 4.52 4.36 2x71A1 MET 211 HB2 0.17 0.09 0.10 -0.04 2.15 2.47 2x71A1 MET 211 HB3 0.13 -0.14 -0.22 -0.04 2.03 1.75 2x71A1 MET 211 HG2 0.10 -0.02 -0.08 -0.04 2.63 2.58 2x71A1 MET 211 HG3 0.18 0.16 0.00 -0.04 2.56 2.86 2x71A1 MET 211 HE3 0.06 0.03 -0.30 -0.04 2.10 1.85 2x71A1 LYS 212 H 0.11 0.83 0.11 -0.55 8.42 8.92 2x71A1 LYS 212 HA 0.12 0.30 0.83 -0.75 4.32 4.82 2x71A1 LYS 212 HB2 0.02 0.06 0.18 -0.04 1.87 2.08 2x71A1 LYS 212 HB3 0.02 -0.07 0.04 -0.04 1.79 1.74 2x71A1 LYS 212 HG2 0.10 0.02 -0.11 -0.04 1.46 1.44 2x71A1 LYS 212 HG3 0.09 0.04 -0.03 -0.04 1.46 1.53 2x71A1 LYS 212 HD2 -0.15 -0.03 -0.11 -0.04 1.69 1.35 2x71A1 LYS 212 HD3 -0.12 -0.03 -0.04 -0.04 1.68 1.46 2x71A1 LYS 212 HE2 -0.38 -0.04 -0.12 -0.04 2.99 2.42 2x71A1 LYS 212 HE3 -0.64 0.00 -0.14 -0.04 2.99 2.16 2x71A1 ARG 213 H 0.09 0.32 -0.49 -0.55 8.46 7.83 2x71A1 ARG 213 HA 0.03 0.09 0.59 -0.75 4.34 4.31 2x71A1 ARG 213 HB2 0.11 0.13 0.14 -0.04 1.90 2.24 2x71A1 ARG 213 HB3 0.06 -0.13 0.16 -0.04 1.80 1.86 2x71A1 ARG 213 HG2 0.03 -0.02 -0.06 -0.04 1.67 1.58 2x71A1 ARG 213 HG3 0.03 0.12 0.00 -0.04 1.67 1.78 2x71A1 ARG 213 HD2 0.04 -0.06 0.00 -0.04 3.22 3.16 2x71A1 ARG 213 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 2x71A1 ASN 214 H 0.05 0.32 -0.35 -0.55 8.53 8.00 2x71A1 ASN 214 HA -0.05 -0.04 0.71 -0.75 4.76 4.63 2x71A1 ASN 214 HB2 0.03 0.28 0.30 -0.04 2.88 3.45 2x71A1 ASN 214 HB3 0.02 -0.07 0.12 -0.04 2.79 2.81 2x71A1 ASN 214 HD21 -0.01 -0.13 -0.10 -0.04 7.03 6.74 2x71A1 ASN 214 HD22 0.00 0.02 -0.11 -0.04 7.74 7.61 2x71A1 THR 215 H -0.21 0.53 0.45 -0.55 8.28 8.51 2x71A1 THR 215 HA -0.08 0.17 0.68 -0.75 4.39 4.41 2x71A1 THR 215 HB -0.15 -0.07 0.16 -0.04 4.32 4.21 2x71A1 THR 215 HG23 -0.47 0.01 0.07 -0.04 1.22 0.79 2x71A1 THR 216 H -0.06 0.15 0.00 -0.55 8.28 7.82 2x71A1 THR 216 HA 0.01 0.19 0.52 -0.75 4.39 4.35 2x71A1 THR 216 HB 0.02 -0.02 0.07 -0.04 4.32 4.35 2x71A1 THR 216 HG23 0.03 0.06 -0.12 -0.04 1.22 1.15 2x71A1 GLY 217 H -0.01 0.27 -0.30 -0.55 8.43 7.84 2x71A1 GLY 217 HA2 -0.01 0.17 0.54 -0.51 4.01 4.19 2x71A1 GLY 217 HA3 -0.00 0.05 0.20 -0.51 4.01 3.75 2x71A1 ASP 218 H 0.01 0.26 -0.27 -0.55 8.40 7.84 2x71A1 ASP 218 HA 0.01 0.11 0.13 -0.75 4.63 4.13 2x71A1 ASP 218 HB2 0.02 -0.01 -0.01 -0.04 2.71 2.66 2x71A1 ASP 218 HB3 0.01 0.04 -0.06 -0.04 2.70 2.65 2x71A1 ALA 219 H 0.01 0.09 -0.32 -0.55 8.40 7.64 2x71A1 ALA 219 HA 0.00 0.25 0.70 -0.75 4.34 4.53 2x71A1 ALA 219 HB3 0.02 -0.01 0.01 -0.04 1.41 1.39 2x71A1 LEU 220 H -0.01 0.37 -0.41 -0.55 8.37 7.77 2x71A1 LEU 220 HA -0.05 0.22 0.67 -0.75 4.35 4.43 2x71A1 LEU 220 HB2 -0.04 0.02 0.12 -0.04 1.64 1.71 2x71A1 LEU 220 HB3 -0.06 0.02 0.01 -0.04 1.64 1.58 2x71A1 LEU 220 HG -0.03 -0.16 -0.30 -0.04 1.64 1.11 2x71A1 LEU 220 HD13 -0.07 0.03 -0.02 -0.04 0.93 0.83 2x71A1 LEU 220 HD23 -0.09 0.05 -0.09 -0.04 0.89 0.73 2x71A1 ILE 221 H -0.03 0.13 0.01 -0.55 8.25 7.81 2x71A1 ILE 221 HA -0.04 0.13 0.24 -0.75 4.18 3.76 2x71A1 ILE 221 HB -0.01 -0.04 -0.05 -0.04 1.89 1.76 2x71A1 ILE 221 HG12 -0.04 0.04 -0.11 -0.04 1.49 1.35 2x71A1 ILE 221 HG13 -0.04 -0.07 -0.08 -0.04 1.21 0.98 2x71A1 ILE 221 HG23 0.00 0.03 -0.28 -0.04 0.93 0.64 2x71A1 ILE 221 HD13 -0.02 0.02 -0.27 -0.04 0.88 0.56 2x71A1 ARG 222 H 0.00 0.11 -0.24 -0.55 8.46 7.77 2x71A1 ARG 222 HA 0.03 0.08 0.28 -0.75 4.34 3.97 2x71A1 ARG 222 HB2 0.01 0.02 -0.09 -0.04 1.90 1.80 2x71A1 ARG 222 HB3 0.02 0.07 -0.08 -0.04 1.80 1.77 2x71A1 ARG 222 HG2 0.06 0.05 -0.04 -0.04 1.67 1.69 2x71A1 ARG 222 HG3 0.03 -0.12 -0.09 -0.04 1.67 1.45 2x71A1 ARG 222 HD2 0.02 -0.14 -0.37 -0.04 3.22 2.69 2x71A1 ARG 222 HD3 0.04 0.07 -0.06 -0.04 3.22 3.22 2x71A1 ALA 223 H -0.02 0.11 -0.72 -0.55 8.40 7.22 2x71A1 ALA 223 HA -0.02 0.12 0.47 -0.75 4.34 4.15 2x71A1 ALA 223 HB3 -0.01 0.06 -0.04 -0.04 1.41 1.38 2x71A1 GLY 224 H -0.06 0.44 -0.51 -0.55 8.43 7.76 2x71A1 GLY 224 HA2 -0.08 0.11 0.72 -0.51 4.01 4.25 2x71A1 GLY 224 HA3 -0.09 -0.03 0.29 -0.51 4.01 3.67 2x71A1 VAL 225 H -0.11 0.26 -0.17 -0.55 8.24 7.67 2x71A1 VAL 225 HA -0.51 0.14 0.77 -0.75 4.13 3.78 2x71A1 VAL 225 HB -0.51 0.00 -0.01 -0.04 2.12 1.56 2x71A1 VAL 225 HG13 -0.11 0.02 -0.21 -0.04 0.97 0.63 2x71A1 VAL 225 HG23 0.03 0.05 -0.13 -0.04 0.95 0.86 2x71A1 PRO 226 HA -0.13 0.06 0.51 -0.51 4.44 4.37 2x71A1 PRO 226 HB2 -0.00 0.11 -0.05 -0.04 2.28 2.30 2x71A1 PRO 226 HB3 -0.06 -0.03 0.10 -0.04 2.02 1.99 2x71A1 PRO 226 HG2 -0.41 0.04 0.02 -0.04 2.03 1.64 2x71A1 PRO 226 HG3 -0.33 0.04 0.00 -0.04 2.03 1.70 2x71A1 PRO 226 HD2 -2.52 0.08 0.10 -0.04 3.68 1.29 2x71A1 PRO 226 HD3 -1.01 0.15 0.16 -0.04 3.65 2.92 2x71A1 GLU 227 H 0.03 0.06 0.13 -0.55 8.60 8.27 2x71A1 GLU 227 HA 0.09 0.09 0.51 -0.75 4.29 4.22 2x71A1 GLU 227 HB2 0.04 0.01 0.14 -0.04 2.09 2.24 2x71A1 GLU 227 HB3 0.07 -0.02 0.08 -0.04 1.99 2.09 2x71A1 GLU 227 HG2 0.05 -0.02 0.01 -0.04 2.34 2.33 2x71A1 GLU 227 HG3 0.07 0.02 -0.08 -0.04 2.34 2.31 2x71A1 GLY 228 H 0.14 0.16 0.14 -0.55 8.43 8.31 2x71A1 GLY 228 HA2 0.10 -0.02 0.28 -0.51 4.01 3.85 2x71A1 GLY 228 HA3 0.14 0.08 0.44 -0.51 4.01 4.15 2x71A1 TRP 229 H 0.48 0.31 -0.43 -0.55 7.97 7.77 2x71A1 TRP 229 HA 0.09 0.37 0.76 -0.75 4.62 5.09 2x71A1 TRP 229 HB2 0.04 0.15 -0.02 -0.04 3.23 3.36 2x71A1 TRP 229 HB3 0.06 -0.06 -0.19 -0.04 3.23 3.01 2x71A1 TRP 229 HD1 0.03 0.12 -0.40 -0.04 7.22 6.92 2x71A1 TRP 229 HE1 0.02 -0.03 -0.04 -0.04 10.20 10.11 2x71A1 TRP 229 HE3 0.01 -0.03 -0.27 -0.04 7.59 7.27 2x71A1 TRP 229 HZ2 0.00 0.01 -0.01 -0.04 7.44 7.41 2x71A1 TRP 229 HZ3 -0.03 -0.05 -0.14 -0.04 7.13 6.87 2x71A1 TRP 229 HH2 -0.01 0.01 -0.03 -0.04 7.19 7.12 2x71A1 GLU 230 H 0.24 0.56 0.23 -0.55 8.60 9.08 2x71A1 GLU 230 HA 0.18 0.09 0.71 -0.75 4.29 4.51 2x71A1 GLU 230 HB2 0.09 0.11 0.09 -0.04 2.09 2.34 2x71A1 GLU 230 HB3 0.31 -0.06 -0.01 -0.04 1.99 2.19 2x71A1 GLU 230 HG2 0.02 0.02 -0.01 -0.04 2.34 2.33 2x71A1 GLU 230 HG3 0.03 0.00 0.03 -0.04 2.34 2.36 2x71A1 VAL 231 H 0.19 0.24 0.18 -0.55 8.24 8.31 2x71A1 VAL 231 HA 0.26 0.24 1.01 -0.75 4.13 4.89 2x71A1 VAL 231 HB 0.12 0.02 0.03 -0.04 2.12 2.26 2x71A1 VAL 231 HG13 0.08 -0.05 -0.26 -0.04 0.97 0.71 2x71A1 VAL 231 HG23 0.16 0.02 -0.36 -0.04 0.95 0.74 2x71A1 ALA 232 H 0.21 0.65 0.21 -0.55 8.40 8.93 2x71A1 ALA 232 HA 0.17 0.26 0.34 -0.75 4.34 4.36 2x71A1 ALA 232 HB3 0.35 -0.02 0.06 -0.04 1.41 1.76 2x71A1 ASP 233 H 0.08 0.49 0.12 -0.55 8.40 8.54 2x71A1 ASP 233 HA 0.04 0.31 1.19 -0.75 4.63 5.42 2x71A1 ASP 233 HB2 0.01 -0.00 -0.07 -0.04 2.71 2.61 2x71A1 ASP 233 HB3 0.04 -0.06 -0.21 -0.04 2.70 2.43 2x71A1 LYS 234 H 0.01 0.72 0.40 -0.55 8.42 9.00 2x71A1 LYS 234 HA 0.01 0.15 0.60 -0.75 4.32 4.32 2x71A1 LYS 234 HB2 0.01 0.08 0.11 -0.04 1.87 2.03 2x71A1 LYS 234 HB3 -0.00 -0.06 0.19 -0.04 1.79 1.88 2x71A1 LYS 234 HG2 -0.02 -0.16 0.10 -0.04 1.46 1.34 2x71A1 LYS 234 HG3 -0.01 0.15 -0.22 -0.04 1.46 1.33 2x71A1 LYS 234 HD2 -0.00 0.08 0.23 -0.04 1.69 1.96 2x71A1 LYS 234 HD3 -0.01 -0.07 0.08 -0.04 1.68 1.64 2x71A1 LYS 234 HE2 -0.00 0.11 0.14 -0.04 2.99 3.20 2x71A1 LYS 234 HE3 -0.01 0.08 0.10 -0.04 2.99 3.12 2x71A1 THR 235 H -0.01 0.15 0.08 -0.55 8.28 7.95 2x71A1 THR 235 HA -0.05 0.21 0.76 -0.75 4.39 4.56 2x71A1 THR 235 HB -0.07 0.08 0.06 -0.04 4.32 4.35 2x71A1 THR 235 HG23 -0.03 0.04 -0.14 -0.04 1.22 1.04 2x71A1 GLY 236 H -0.09 0.79 0.37 -0.55 8.43 8.95 2x71A1 GLY 236 HA2 -0.03 -0.01 0.60 -0.51 4.01 4.06 2x71A1 GLY 236 HA3 -0.02 0.05 0.36 -0.51 4.01 3.90 2x71A1 ALA 237 H -0.04 0.14 0.21 -0.55 8.40 8.16 2x71A1 ALA 237 HA -0.17 0.44 0.74 -0.75 4.34 4.60 2x71A1 ALA 237 HB3 -0.05 0.01 0.08 -0.04 1.41 1.41 2x71A1 GLY 238 H 0.04 0.68 0.25 -0.55 8.43 8.85 2x71A1 GLY 238 HA2 0.04 0.09 0.91 -0.51 4.01 4.54 2x71A1 GLY 238 HA3 0.05 0.02 0.34 -0.51 4.01 3.91 2x71A1 SER 240 H 0.08 0.23 0.29 -0.55 8.46 8.51 2x71A1 SER 240 HA 0.04 0.11 0.69 -0.75 4.49 4.58 2x71A1 SER 240 HB2 -0.01 0.01 0.25 -0.04 3.95 4.16 2x71A1 SER 240 HB3 0.04 -0.05 0.18 -0.04 3.93 4.06 2x71A1 TYR 241 H -0.15 0.68 0.42 -0.55 8.29 8.69 2x71A1 TYR 241 HA 0.04 0.29 0.35 -0.75 4.56 4.48 2x71A1 TYR 241 HB2 0.03 0.18 -0.00 -0.04 3.06 3.22 2x71A1 TYR 241 HB3 0.04 0.08 0.26 -0.04 2.98 3.32 2x71A1 TYR 241 HD2 0.01 0.09 -0.29 -0.04 7.15 6.92 2x71A1 TYR 241 HE2 -0.00 0.07 0.03 -0.04 6.85 6.90 2x71A1 GLY 242 H 0.09 0.17 -0.15 -0.55 8.43 7.99 2x71A1 GLY 242 HA2 0.20 0.08 0.12 -0.51 4.01 3.89 2x71A1 GLY 242 HA3 0.15 -0.02 -0.04 -0.51 4.01 3.59 2x71A1 THR 243 H 0.15 0.28 -0.67 -0.55 8.28 7.49 2x71A1 THR 243 HA 0.11 0.32 0.57 -0.75 4.39 4.64 2x71A1 THR 243 HB 0.08 -0.27 0.05 -0.04 4.32 4.14 2x71A1 THR 243 HG23 0.07 0.04 -0.11 -0.04 1.22 1.18 2x71A1 ARG 244 H -0.04 0.38 0.15 -0.55 8.46 8.40 2x71A1 ARG 244 HA -0.31 0.22 0.90 -0.75 4.34 4.40 2x71A1 ARG 244 HB2 -0.37 0.03 -0.22 -0.04 1.90 1.30 2x71A1 ARG 244 HB3 -0.14 -0.02 0.07 -0.04 1.80 1.66 2x71A1 ARG 244 HG2 -0.37 -0.11 -0.17 -0.04 1.67 0.98 2x71A1 ARG 244 HG3 -0.27 -0.02 -0.21 -0.04 1.67 1.14 2x71A1 ARG 244 HD2 -0.45 0.26 0.22 -0.04 3.22 3.21 2x71A1 ARG 244 HD3 -1.49 -0.00 0.13 -0.04 3.22 1.81 2x71A1 ASN 245 H -0.16 0.59 0.29 -0.55 8.53 8.71 2x71A1 ASN 245 HA -0.14 0.36 1.04 -0.75 4.76 5.27 2x71A1 ASN 245 HB2 -0.05 -0.12 -0.00 -0.04 2.88 2.66 2x71A1 ASN 245 HB3 -0.06 0.01 -0.03 -0.04 2.79 2.66 2x71A1 ASN 245 HD21 0.05 0.41 -0.12 -0.04 7.03 7.33 2x71A1 ASN 245 HD22 0.05 0.16 -0.20 -0.04 7.74 7.71 2x71A1 ASP 246 H -0.09 0.71 0.32 -0.55 8.40 8.80 2x71A1 ASP 246 HA -0.05 0.20 0.60 -0.75 4.63 4.63 2x71A1 ASP 246 HB2 -0.07 0.02 -0.11 -0.04 2.71 2.51 2x71A1 ASP 246 HB3 -0.06 -0.02 0.08 -0.04 2.70 2.66 2x71A1 ILE 247 H -0.02 0.62 0.33 -0.55 8.25 8.63 2x71A1 ILE 247 HA -0.02 0.29 1.10 -0.75 4.18 4.80 2x71A1 ILE 247 HB 0.00 0.08 0.11 -0.04 1.89 2.04 2x71A1 ILE 247 HG12 -0.01 0.05 0.17 -0.04 1.49 1.67 2x71A1 ILE 247 HG13 0.01 0.03 -0.13 -0.04 1.21 1.08 2x71A1 ILE 247 HG23 -0.01 -0.05 -0.09 -0.04 0.93 0.73 2x71A1 ILE 247 HD13 -0.00 0.00 -0.07 -0.04 0.88 0.77 2x71A1 ALA 248 H -0.01 0.67 0.41 -0.55 8.40 8.93 2x71A1 ALA 248 HA 0.02 0.33 1.01 -0.75 4.34 4.94 2x71A1 ALA 248 HB3 0.01 -0.02 -0.27 -0.04 1.41 1.09 2x71A1 ILE 249 H -0.02 0.59 0.35 -0.55 8.25 8.62 2x71A1 ILE 249 HA -0.28 0.23 0.84 -0.75 4.18 4.21 2x71A1 ILE 249 HB -0.45 -0.03 0.11 -0.04 1.89 1.48 2x71A1 ILE 249 HG12 -0.02 -0.03 -0.05 -0.04 1.49 1.35 2x71A1 ILE 249 HG13 -0.01 0.03 -0.05 -0.04 1.21 1.14 2x71A1 ILE 249 HG23 -1.13 0.01 -0.11 -0.04 0.93 -0.33 2x71A1 ILE 249 HD13 -0.09 0.02 -0.09 -0.04 0.88 0.68 2x71A1 ILE 250 H -0.34 0.85 0.31 -0.55 8.25 8.52 2x71A1 ILE 250 HA 0.09 0.35 1.03 -0.75 4.18 4.89 2x71A1 ILE 250 HB 0.36 0.09 -0.05 -0.04 1.89 2.24 2x71A1 ILE 250 HG12 0.03 0.04 -0.04 -0.04 1.49 1.48 2x71A1 ILE 250 HG13 0.30 -0.01 -0.14 -0.04 1.21 1.33 2x71A1 ILE 250 HG23 0.07 -0.04 -0.30 -0.04 0.93 0.62 2x71A1 ILE 250 HD13 0.16 -0.01 -0.17 -0.04 0.88 0.82 2x71A1 TRP 251 H 0.39 0.75 0.23 -0.55 7.97 8.80 2x71A1 TRP 251 HA -0.14 0.17 0.93 -0.75 4.62 4.82 2x71A1 TRP 251 HB2 -0.04 -0.12 0.15 -0.04 3.23 3.18 2x71A1 TRP 251 HB3 -0.12 0.20 -0.02 -0.04 3.23 3.25 2x71A1 TRP 251 HD1 -0.07 0.12 -0.06 -0.04 7.22 7.17 2x71A1 TRP 251 HE1 -0.02 -0.01 -0.03 -0.04 10.20 10.10 2x71A1 TRP 251 HE3 0.03 0.09 -0.35 -0.04 7.59 7.31 2x71A1 TRP 251 HZ2 0.00 0.04 -0.07 -0.04 7.44 7.37 2x71A1 TRP 251 HZ3 0.03 -0.00 -0.20 -0.04 7.13 6.91 2x71A1 TRP 251 HH2 0.02 -0.02 -0.07 -0.04 7.19 7.08 2x71A1 PRO 252 HA -2.33 0.06 0.42 -0.51 4.44 2.09 2x71A1 PRO 252 HB2 -0.46 0.11 -0.33 -0.04 2.28 1.56 2x71A1 PRO 252 HB3 -0.96 0.01 0.05 -0.04 2.02 1.08 2x71A1 PRO 252 HG2 -0.39 0.04 -0.04 -0.04 2.03 1.61 2x71A1 PRO 252 HG3 -1.20 -0.02 -0.03 -0.04 2.03 0.74 2x71A1 PRO 252 HD2 -0.25 0.21 -0.12 -0.04 3.68 3.48 2x71A1 PRO 252 HD3 -0.35 0.11 -0.00 -0.04 3.65 3.36 2x71A1 PRO 254 HA -0.11 0.16 0.46 -0.51 4.44 4.44 2x71A1 PRO 254 HB2 -0.07 -0.07 0.06 -0.04 2.28 2.16 2x71A1 PRO 254 HB3 -0.03 -0.02 0.08 -0.04 2.02 2.02 2x71A1 PRO 254 HG2 0.04 -0.01 0.04 -0.04 2.03 2.06 2x71A1 PRO 254 HG3 0.01 0.08 -0.07 -0.04 2.03 2.01 2x71A1 PRO 254 HD2 -0.37 0.06 0.14 -0.04 3.68 3.46 2x71A1 PRO 254 HD3 -1.15 0.10 0.04 -0.04 3.65 2.60 2x71A1 LYS 255 H -0.16 0.16 -0.11 -0.55 8.42 7.75 2x71A1 LYS 255 HA -0.06 0.17 0.75 -0.75 4.32 4.43 2x71A1 LYS 255 HB2 -0.04 -0.02 0.02 -0.04 1.87 1.79 2x71A1 LYS 255 HB3 -0.04 0.03 -0.05 -0.04 1.79 1.68 2x71A1 LYS 255 HG2 -0.06 -0.03 0.08 -0.04 1.46 1.41 2x71A1 LYS 255 HG3 -0.04 0.00 -0.03 -0.04 1.46 1.35 2x71A1 LYS 255 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 2x71A1 LYS 255 HD3 -0.02 0.00 -0.03 -0.04 1.68 1.59 2x71A1 LYS 255 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2x71A1 LYS 255 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.91 2x71A1 GLY 256 H -0.04 0.21 0.07 -0.55 8.43 8.12 2x71A1 GLY 256 HA2 -0.04 -0.05 0.24 -0.51 4.01 3.66 2x71A1 GLY 256 HA3 -0.09 0.20 0.84 -0.51 4.01 4.46 2x71A1 ASP 257 H -0.04 0.03 0.14 -0.55 8.40 7.98 2x71A1 ASP 257 HA 0.03 0.16 0.61 -0.75 4.63 4.69 2x71A1 ASP 257 HB2 -0.03 -0.20 0.10 -0.04 2.71 2.54 2x71A1 ASP 257 HB3 -0.02 0.09 0.02 -0.04 2.70 2.75 2x71A1 PRO 258 HA -0.53 0.26 0.65 -0.51 4.44 4.31 2x71A1 PRO 258 HB2 -0.55 -0.01 -0.09 -0.04 2.28 1.59 2x71A1 PRO 258 HB3 -1.28 0.05 0.04 -0.04 2.02 0.78 2x71A1 PRO 258 HG2 -0.10 -0.05 0.06 -0.04 2.03 1.91 2x71A1 PRO 258 HG3 0.04 0.08 0.05 -0.04 2.03 2.17 2x71A1 PRO 258 HD2 0.01 0.02 0.22 -0.04 3.68 3.89 2x71A1 PRO 258 HD3 0.18 0.18 0.18 -0.04 3.65 4.15 2x71A1 VAL 259 H -0.34 0.86 0.44 -0.55 8.24 8.65 2x71A1 VAL 259 HA -0.11 0.22 1.09 -0.75 4.13 4.57 2x71A1 VAL 259 HB 0.03 -0.02 0.10 -0.04 2.12 2.19 2x71A1 VAL 259 HG13 -0.00 -0.02 -0.29 -0.04 0.97 0.62 2x71A1 VAL 259 HG23 0.01 0.00 -0.03 -0.04 0.95 0.89 2x71A1 VAL 260 H -0.08 0.54 0.33 -0.55 8.24 8.48 2x71A1 VAL 260 HA -0.10 0.25 1.04 -0.75 4.13 4.57 2x71A1 VAL 260 HB 0.05 -0.12 0.09 -0.04 2.12 2.10 2x71A1 VAL 260 HG13 0.02 0.04 0.03 -0.04 0.97 1.02 2x71A1 VAL 260 HG23 -0.04 0.02 0.01 -0.04 0.95 0.90 2x71A1 LEU 261 H -0.02 0.67 0.35 -0.55 8.37 8.82 2x71A1 LEU 261 HA -0.01 0.26 1.11 -0.75 4.35 4.95 2x71A1 LEU 261 HB2 -0.02 0.02 -0.26 -0.04 1.64 1.34 2x71A1 LEU 261 HB3 -0.02 -0.02 -0.02 -0.04 1.64 1.54 2x71A1 LEU 261 HG -0.03 -0.05 -0.31 -0.04 1.64 1.21 2x71A1 LEU 261 HD13 -0.04 0.01 -0.16 -0.04 0.93 0.70 2x71A1 LEU 261 HD23 -0.02 -0.00 -0.15 -0.04 0.89 0.68 2x71A1 ALA 262 H 0.05 0.73 0.38 -0.55 8.40 9.01 2x71A1 ALA 262 HA -0.01 0.18 0.98 -0.75 4.34 4.72 2x71A1 ALA 262 HB3 0.03 -0.04 0.17 -0.04 1.41 1.52 2x71A1 VAL 263 H -0.07 0.78 0.28 -0.55 8.24 8.68 2x71A1 VAL 263 HA -0.13 0.29 1.12 -0.75 4.13 4.66 2x71A1 VAL 263 HB -0.09 -0.07 0.19 -0.04 2.12 2.11 2x71A1 VAL 263 HG13 -0.12 0.01 -0.08 -0.04 0.97 0.73 2x71A1 VAL 263 HG23 -0.06 0.00 -0.14 -0.04 0.95 0.71 2x71A1 LEU 264 H -0.29 0.90 0.34 -0.55 8.37 8.77 2x71A1 LEU 264 HA -0.29 0.10 0.93 -0.75 4.35 4.34 2x71A1 LEU 264 HB2 -1.10 -0.03 -0.00 -0.04 1.64 0.47 2x71A1 LEU 264 HB3 -0.76 0.05 -0.06 -0.04 1.64 0.82 2x71A1 LEU 264 HG -0.18 -0.01 -0.25 -0.04 1.64 1.15 2x71A1 LEU 264 HD13 0.02 0.01 -0.39 -0.04 0.93 0.53 2x71A1 LEU 264 HD23 -0.09 0.02 -0.32 -0.04 0.89 0.46 2x71A1 SER 265 H -0.27 0.20 0.14 -0.55 8.46 7.99 2x71A1 SER 265 HA -0.12 0.33 0.71 -0.75 4.49 4.66 2x71A1 SER 265 HB2 0.02 0.05 0.11 -0.04 3.95 4.09 2x71A1 SER 265 HB3 -0.11 -0.03 -0.19 -0.04 3.93 3.56 2x71A1 SER 266 H 0.28 0.53 0.37 -0.55 8.46 9.09 2x71A1 SER 266 HA 0.18 0.18 0.27 -0.75 4.49 4.37 2x71A1 SER 266 HB2 0.15 0.09 0.18 -0.04 3.95 4.32 2x71A1 SER 266 HB3 0.34 -0.01 -0.03 -0.04 3.93 4.20 2x71A1 ARG 267 H 0.19 0.70 0.30 -0.55 8.46 9.10 2x71A1 ARG 267 HA 0.12 0.10 0.94 -0.75 4.34 4.75 2x71A1 ARG 267 HB2 0.13 -0.04 -0.10 -0.04 1.90 1.85 2x71A1 ARG 267 HB3 0.11 -0.01 0.22 -0.04 1.80 2.07 2x71A1 ARG 267 HG2 0.13 0.03 -0.20 -0.04 1.67 1.59 2x71A1 ARG 267 HG3 0.14 0.08 -0.26 -0.04 1.67 1.59 2x71A1 ARG 267 HD2 0.14 -0.07 -0.02 -0.04 3.22 3.22 2x71A1 ARG 267 HD3 0.11 -0.06 -0.12 -0.04 3.22 3.11 2x71A1 ASP 268 H 0.11 0.20 0.19 -0.55 8.40 8.34 2x71A1 ASP 268 HA 0.14 0.20 0.58 -0.75 4.63 4.80 2x71A1 ASP 268 HB2 0.08 -0.02 0.07 -0.04 2.71 2.80 2x71A1 ASP 268 HB3 0.06 0.02 0.06 -0.04 2.70 2.79 2x71A1 LYS 269 H 0.10 0.10 -0.05 -0.55 8.42 8.02 2x71A1 LYS 269 HA 0.03 0.18 0.81 -0.75 4.32 4.60 2x71A1 LYS 269 HB2 0.00 -0.01 0.08 -0.04 1.87 1.90 2x71A1 LYS 269 HB3 -0.04 -0.07 0.03 -0.04 1.79 1.68 2x71A1 LYS 269 HG2 0.04 -0.00 0.00 -0.04 1.46 1.46 2x71A1 LYS 269 HG3 0.01 0.04 0.01 -0.04 1.46 1.48 2x71A1 LYS 269 HD2 0.02 -0.02 0.03 -0.04 1.69 1.68 2x71A1 LYS 269 HD3 0.04 0.03 -0.14 -0.04 1.68 1.57 2x71A1 LYS 269 HE2 0.00 -0.01 0.00 -0.04 2.99 2.95 2x71A1 LYS 269 HE3 0.02 0.02 -0.00 -0.04 2.99 2.99 2x71A1 LYS 270 H -0.28 0.20 0.20 -0.55 8.42 8.00 2x71A1 LYS 270 HA -1.80 0.10 0.45 -0.75 4.32 2.32 2x71A1 LYS 270 HB2 -0.48 0.07 0.19 -0.04 1.87 1.61 2x71A1 LYS 270 HB3 -0.27 -0.02 0.14 -0.04 1.79 1.61 2x71A1 LYS 270 HG2 -0.29 -0.04 0.01 -0.04 1.46 1.10 2x71A1 LYS 270 HG3 -0.41 0.06 0.09 -0.04 1.46 1.15 2x71A1 LYS 270 HD2 -0.08 0.02 0.04 -0.04 1.69 1.63 2x71A1 LYS 270 HD3 -0.10 -0.00 -0.01 -0.04 1.68 1.53 2x71A1 LYS 270 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.89 2x71A1 LYS 270 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2x71A1 ASP 271 H -0.16 0.07 -0.18 -0.55 8.40 7.58 2x71A1 ASP 271 HA -0.09 0.18 0.65 -0.75 4.63 4.62 2x71A1 ASP 271 HB2 -0.05 0.05 0.14 -0.04 2.71 2.81 2x71A1 ASP 271 HB3 -0.08 -0.02 0.04 -0.04 2.70 2.60 2x71A1 ALA 272 H -0.08 0.31 -0.55 -0.55 8.40 7.53 2x71A1 ALA 272 HA -0.01 -0.01 0.33 -0.75 4.34 3.90 2x71A1 ALA 272 HB3 0.04 -0.00 -0.05 -0.04 1.41 1.36 2x71A1 LYS 273 H -0.01 0.09 0.20 -0.55 8.42 8.14 2x71A1 LYS 273 HA -0.11 0.11 0.84 -0.75 4.32 4.40 2x71A1 LYS 273 HB2 -0.05 -0.03 0.13 -0.04 1.87 1.87 2x71A1 LYS 273 HB3 -0.15 0.09 0.07 -0.04 1.79 1.75 2x71A1 LYS 273 HG2 -0.12 0.01 0.06 -0.04 1.46 1.37 2x71A1 LYS 273 HG3 -0.06 0.03 0.03 -0.04 1.46 1.42 2x71A1 LYS 273 HD2 -0.05 -0.02 0.03 -0.04 1.69 1.61 2x71A1 LYS 273 HD3 -0.09 0.02 0.04 -0.04 1.68 1.60 2x71A1 LYS 273 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.90 2x71A1 LYS 273 HE3 -0.09 -0.00 0.03 -0.04 2.99 2.89 2x71A1 TYR 274 H -0.47 0.09 0.12 -0.55 8.29 7.48 2x71A1 TYR 274 HA 0.04 0.27 0.87 -0.75 4.56 4.99 2x71A1 TYR 274 HB2 0.00 -0.03 -0.06 -0.04 3.06 2.93 2x71A1 TYR 274 HB3 0.02 0.24 -0.13 -0.04 2.98 3.07 2x71A1 TYR 274 HD2 0.00 -0.03 -0.29 -0.04 7.15 6.79 2x71A1 TYR 274 HE2 -0.02 -0.03 -0.01 -0.04 6.85 6.75 2x71A1 ASP 275 H 0.19 0.29 0.11 -0.55 8.40 8.44 2x71A1 ASP 275 HA 0.13 0.16 0.81 -0.75 4.63 4.97 2x71A1 ASP 275 HB2 0.22 0.14 -0.02 -0.04 2.71 3.01 2x71A1 ASP 275 HB3 0.24 -0.02 0.15 -0.04 2.70 3.03 2x71A1 ASP 276 H 0.16 0.24 0.04 -0.55 8.40 8.29 2x71A1 ASP 276 HA 0.00 0.08 0.36 -0.75 4.63 4.31 2x71A1 ASP 276 HB2 0.06 0.01 0.05 -0.04 2.71 2.78 2x71A1 ASP 276 HB3 0.01 0.14 -0.16 -0.04 2.70 2.65 2x71A1 LYS 277 H 0.03 0.07 -0.26 -0.55 8.42 7.70 2x71A1 LYS 277 HA -0.03 0.14 0.35 -0.75 4.32 4.03 2x71A1 LYS 277 HB2 0.20 -0.02 0.00 -0.04 1.87 2.01 2x71A1 LYS 277 HB3 0.18 0.05 -0.07 -0.04 1.79 1.92 2x71A1 LYS 277 HG2 0.06 0.07 0.03 -0.04 1.46 1.57 2x71A1 LYS 277 HG3 0.07 -0.05 0.03 -0.04 1.46 1.47 2x71A1 LYS 277 HD2 0.17 0.03 -0.02 -0.04 1.69 1.82 2x71A1 LYS 277 HD3 0.08 0.03 -0.00 -0.04 1.68 1.74 2x71A1 LYS 277 HE2 0.08 0.01 0.01 -0.04 2.99 3.05 2x71A1 LYS 277 HE3 0.17 -0.08 0.01 -0.04 2.99 3.05 2x71A1 LEU 278 H -0.52 0.31 -0.36 -0.55 8.37 7.26 2x71A1 LEU 278 HA -1.16 0.05 0.40 -0.75 4.35 2.88 2x71A1 LEU 278 HB2 -1.07 0.02 0.06 -0.04 1.64 0.60 2x71A1 LEU 278 HB3 -0.36 0.14 0.08 -0.04 1.64 1.46 2x71A1 LEU 278 HG -0.20 -0.02 -0.41 -0.04 1.64 0.97 2x71A1 LEU 278 HD13 -0.13 -0.00 -0.11 -0.04 0.93 0.65 2x71A1 LEU 278 HD23 -0.03 0.02 -0.13 -0.04 0.89 0.71 2x71A1 ILE 279 H -0.20 0.31 -0.20 -0.55 8.25 7.61 2x71A1 ILE 279 HA -0.12 0.03 0.43 -0.75 4.18 3.77 2x71A1 ILE 279 HB -0.11 0.14 0.07 -0.04 1.89 1.95 2x71A1 ILE 279 HG12 -0.13 0.03 -0.16 -0.04 1.49 1.18 2x71A1 ILE 279 HG13 -0.13 -0.02 -0.14 -0.04 1.21 0.88 2x71A1 ILE 279 HG23 -0.08 -0.02 -0.22 -0.04 0.93 0.56 2x71A1 ILE 279 HD13 -0.14 -0.00 -0.07 -0.04 0.88 0.63 2x71A1 ALA 280 H -0.10 0.43 -0.06 -0.55 8.40 8.12 2x71A1 ALA 280 HA -0.06 0.13 0.30 -0.75 4.34 3.96 2x71A1 ALA 280 HB3 -0.04 0.09 -0.05 -0.04 1.41 1.36 2x71A1 GLU 281 H -0.10 0.65 -0.21 -0.55 8.60 8.39 2x71A1 GLU 281 HA -0.03 0.07 0.41 -0.75 4.29 3.98 2x71A1 GLU 281 HB2 -0.04 0.04 0.07 -0.04 2.09 2.12 2x71A1 GLU 281 HB3 0.03 -0.07 0.00 -0.04 1.99 1.91 2x71A1 GLU 281 HG2 -0.00 0.13 0.07 -0.04 2.34 2.50 2x71A1 GLU 281 HG3 0.16 -0.08 -0.09 -0.04 2.34 2.28 2x71A1 ALA 282 H -0.06 0.63 -0.11 -0.55 8.40 8.31 2x71A1 ALA 282 HA 0.16 -0.04 0.45 -0.75 4.34 4.15 2x71A1 ALA 282 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 2x71A1 THR 283 H -0.03 0.61 -0.25 -0.55 8.28 8.07 2x71A1 THR 283 HA -0.02 -0.08 0.38 -0.75 4.39 3.91 2x71A1 THR 283 HB -0.07 0.22 0.10 -0.04 4.32 4.53 2x71A1 THR 283 HG23 -0.10 0.05 -0.22 -0.04 1.22 0.91 2x71A1 LYS 284 H -0.06 0.44 -0.20 -0.55 8.42 8.05 2x71A1 LYS 284 HA -0.14 0.19 0.49 -0.75 4.32 4.11 2x71A1 LYS 284 HB2 -0.07 0.10 0.16 -0.04 1.87 2.02 2x71A1 LYS 284 HB3 -0.09 -0.10 0.02 -0.04 1.79 1.58 2x71A1 LYS 284 HG2 -0.11 0.07 0.03 -0.04 1.46 1.42 2x71A1 LYS 284 HG3 -0.08 0.25 0.14 -0.04 1.46 1.74 2x71A1 LYS 284 HD2 -0.04 -0.08 -0.02 -0.04 1.69 1.50 2x71A1 LYS 284 HD3 -0.06 -0.07 -0.02 -0.04 1.68 1.49 2x71A1 LYS 284 HE2 -0.06 0.13 0.01 -0.04 2.99 3.03 2x71A1 LYS 284 HE3 -0.04 -0.02 -0.13 -0.04 2.99 2.77 2x71A1 VAL 285 H -0.06 0.43 -0.25 -0.55 8.24 7.81 2x71A1 VAL 285 HA -0.17 0.02 0.51 -0.75 4.13 3.74 2x71A1 VAL 285 HB -0.25 0.14 0.13 -0.04 2.12 2.09 2x71A1 VAL 285 HG13 -0.86 -0.05 -0.08 -0.04 0.97 -0.07 2x71A1 VAL 285 HG23 -0.24 0.07 -0.02 -0.04 0.95 0.71 2x71A1 VAL 286 H 0.08 0.65 -0.03 -0.55 8.24 8.40 2x71A1 VAL 286 HA 0.12 -0.07 0.39 -0.75 4.13 3.82 2x71A1 VAL 286 HB 0.00 0.21 0.14 -0.04 2.12 2.44 2x71A1 VAL 286 HG13 -0.00 -0.02 -0.21 -0.04 0.97 0.70 2x71A1 VAL 286 HG23 0.12 0.02 -0.08 -0.04 0.95 0.97 2x71A1 VAL 287 H -0.10 0.77 -0.13 -0.55 8.24 8.24 2x71A1 VAL 287 HA -0.09 -0.04 0.27 -0.75 4.13 3.52 2x71A1 VAL 287 HB -0.25 0.14 0.14 -0.04 2.12 2.11 2x71A1 VAL 287 HG13 -0.46 -0.02 -0.08 -0.04 0.97 0.37 2x71A1 VAL 287 HG23 -0.48 0.02 -0.02 -0.04 0.95 0.43 2x71A1 LYS 288 H -0.09 0.45 -0.29 -0.55 8.42 7.94 2x71A1 LYS 288 HA -0.04 0.00 0.38 -0.75 4.32 3.90 2x71A1 LYS 288 HB2 -0.09 0.23 0.22 -0.04 1.87 2.19 2x71A1 LYS 288 HB3 -0.08 -0.00 0.09 -0.04 1.79 1.75 2x71A1 LYS 288 HG2 -0.06 -0.08 -0.01 -0.04 1.46 1.27 2x71A1 LYS 288 HG3 -0.04 -0.01 0.05 -0.04 1.46 1.41 2x71A1 LYS 288 HD2 -0.05 -0.05 0.00 -0.04 1.69 1.55 2x71A1 LYS 288 HD3 -0.07 0.09 0.02 -0.04 1.68 1.67 2x71A1 LYS 288 HE2 -0.08 -0.03 -0.02 -0.04 2.99 2.82 2x71A1 LYS 288 HE3 -0.06 -0.06 -0.02 -0.04 2.99 2.81 2x71A1 ALA 289 H -0.04 0.54 -0.13 -0.55 8.40 8.23 2x71A1 ALA 289 HA -0.02 -0.02 0.33 -0.75 4.34 3.88 2x71A1 ALA 289 HB3 0.00 -0.02 0.09 -0.04 1.41 1.43 2x71A1 LEU 290 H 0.02 0.51 -0.33 -0.55 8.37 8.02 2x71A1 LEU 290 HA 0.03 0.05 0.47 -0.75 4.35 4.14 2x71A1 LEU 290 HB2 0.09 0.14 0.01 -0.04 1.64 1.84 2x71A1 LEU 290 HB3 0.09 -0.07 -0.00 -0.04 1.64 1.61 2x71A1 LEU 290 HG 0.02 0.07 -0.15 -0.04 1.64 1.53 2x71A1 LEU 290 HD13 0.04 -0.03 -0.19 -0.04 0.93 0.71 2x71A1 LEU 290 HD23 -0.01 -0.02 -0.26 -0.04 0.89 0.56